1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide

C17H27N5O2 — CID 53165757

IUPAC1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C17H27N5O2/c1-13(2)20-17(23)14-3-5-21(6-4-14)15-11-18-12-19-16(15)22-7-9-24-10-8-22/h11-14H,3-10H2,1-2H3,(H,20,23)
InChIKeyTTZSLWKRWVJLMO-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.05
Rot. Bonds4

About 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide

1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 53165757) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID53165757
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1
InChIInChI=1S/C17H27N5O2/c1-13(2)20-17(23)14-3-5-21(6-4-14)15-11-18-12-19-16(15)22-7-9-24-10-8-22/h11-14H,3-10H2,1-2H3,(H,20,23)
InChIKeyTTZSLWKRWVJLMO-UHFFFAOYSA-N
XLogP1.05
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-4-(pentylamino)pyrimidine-5-carboxamide
CID 59625541
8-(2-Methoxyethyl)-2-piperazin-1-ylpteridin-7-one
CID 3235191
8-(2-Methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one
CID 3235271
5-(4-{[1,4'-Bipiperidine]-1'-carbonyl}piperidin-1-YL)-N,N-dimethylpyrimidin-4-amine
CID 53165528
N~4~-cyclopentyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165784
9-(Cyclopropylmethyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372524
9-(2-Methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372525
9-(Cyclobutylmethyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385658
N-(1-methylpiperidin-4-yl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
CID 110257985
9-Butan-2-yl-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118743802
1-(4-((5-Fluoro-4-morpholinopyrimidin-2-yl)amino)piperidin-1-yl)ethan-1-one
CID 172591486
N-propan-2-yl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146129

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide (CID 53165757) is 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2cncnc2N2CCOCC2)CC1.
What is the InChIKey of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is TTZSLWKRWVJLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(2)20-17(23)14-3-5-21(6-4-14)15-11-18-12-19-16(15)22-7-9-24-10-8-22/h11-14H,3-10H2,1-2H3,(H,20,23).
What are the key properties of 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylpyrimidin-5-yl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53165757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).