N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

C26H37N5O4 — CID 144513002

IUPACN-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC/C=C\C(=N/C)C(=O)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CC2)CC1
InChIInChI=1S/C26H37N5O4/c1-3-4-5-22(27-2)25(33)19-8-11-30(12-9-19)16-24(32)31(14-18-6-7-18)15-23-28-21-10-13-35-17-20(21)26(34)29-23/h4-5,18-19H,3,6-17H2,1-2H3,(H,28,29,34)/b5-4-,27-22+
InChIKeyJUALHIBGHUFSCB-NREZGXEQSA-N
MW483.61 g/mol
LogP1.90
Rot. Bonds10

About N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide

N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 144513002) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID144513002
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC NameN-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
SMILESCC/C=C\C(=N/C)C(=O)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CC2)CC1
InChIInChI=1S/C26H37N5O4/c1-3-4-5-22(27-2)25(33)19-8-11-30(12-9-19)16-24(32)31(14-18-6-7-18)15-23-28-21-10-13-35-17-20(21)26(34)29-23/h4-5,18-19H,3,6-17H2,1-2H3,(H,28,29,34)/b5-4-,27-22+
InChIKeyJUALHIBGHUFSCB-NREZGXEQSA-N
XLogP1.90
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]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-[(2E)-2-[(Z)-3-(cyclopropylmethoxy)prop-1-enyl]penta-2,4-dienoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136964669
2-(4-acetylpiperidin-1-yl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 137147831
N-(cyclopropylmethyl)-2-[4-(4-methoxycyclohepta-1,3,6-triene-1-carbonyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 146259942
2-[[(3S)-3-[4-(4-methoxy-3-methylcyclohexa-1,5-diene-1-carbonyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 163603675

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide (CID 144513002) is N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]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-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is CC/C=C\C(=N/C)C(=O)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is JUALHIBGHUFSCB-NREZGXEQSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-3-4-5-22(27-2)25(33)19-8-11-30(12-9-19)16-24(32)31(14-18-6-7-18)15-23-28-21-10-13-35-17-20(21)26(34)29-23/h4-5,18-19H,3,6-17H2,1-2H3,(H,28,29,34)/b5-4-,27-22+.
What are the key properties of N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide?
N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 483.61 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-[(Z)-2-methyliminohex-3-enoyl]piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 144513002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).