N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

C27H33FN4O4 — CID 136627238

IUPACN-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC(C1CC1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H33FN4O4/c1-17(18-2-3-18)32(14-24-29-23-10-13-36-16-22(23)27(35)30-24)25(33)15-31-11-8-20(9-12-31)26(34)19-4-6-21(28)7-5-19/h4-7,17-18,20H,2-3,8-16H2,1H3,(H,29,30,35)
InChIKeyKGBRRRXNQADTEZ-UHFFFAOYSA-N
MW496.58 g/mol
LogP2.70
Rot. Bonds8

About N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 136627238) has the molecular formula C27H33FN4O4 and a molecular weight of 496.58 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID136627238
Molecular FormulaC27H33FN4O4
Molecular Weight496.58 g/mol
Exact Mass496.25
IUPAC NameN-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC(C1CC1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C27H33FN4O4/c1-17(18-2-3-18)32(14-24-29-23-10-13-36-16-22(23)27(35)30-24)25(33)15-31-11-8-20(9-12-31)26(34)19-4-6-21(28)7-5-19/h4-7,17-18,20H,2-3,8-16H2,1H3,(H,29,30,35)
InChIKeyKGBRRRXNQADTEZ-UHFFFAOYSA-N
XLogP2.70
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.58
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136627207
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(8-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-6-yl)methyl]acetamide
CID 71227412
2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 167792943
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18142936
2-(piperazin-1-ylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982292
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
tert-butyl N-(cyclopropylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]carbamate
CID 136627243
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-1,2,3,4a,5,7,8,8a-octahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 78041643
N-(cyclopropylmethyl)-2-[4-[hydroxy-(4-methoxyphenyl)methyl]piperidin-1-yl]-N-[(4-oxo-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-2-yl)methyl]acetamide
CID 137090888
2-butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696247
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (CID 136627238) is N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is CC(C1CC1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is KGBRRRXNQADTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O4/c1-17(18-2-3-18)32(14-24-29-23-10-13-36-16-22(23)27(35)30-24)25(33)15-31-11-8-20(9-12-31)26(34)19-4-6-21(28)7-5-19/h4-7,17-18,20H,2-3,8-16H2,1H3,(H,29,30,35).
What are the key properties of N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 496.58 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 136627238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).