(3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide

C17H26N4O2 — CID 136822796

IUPAC(3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CCCN(C3CCCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H26N4O2/c1-12-19-14(9-16(22)20-12)10-18-17(23)13-5-4-8-21(11-13)15-6-2-3-7-15/h9,13,15H,2-8,10-11H2,1H3,(H,18,23)(H,19,20,22)/t13-/m1/s1
InChIKeyMKIINQZOQBAGCV-CYBMUJFWSA-N
MW318.42 g/mol
LogP1.35
Rot. Bonds4

About (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide

(3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 136822796) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
PubChem CID136822796
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
SMILESCc1nc(CNC(=O)[C@@H]2CCCN(C3CCCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H26N4O2/c1-12-19-14(9-16(22)20-12)10-18-17(23)13-5-4-8-21(11-13)15-6-2-3-7-15/h9,13,15H,2-8,10-11H2,1H3,(H,18,23)(H,19,20,22)/t13-/m1/s1
InChIKeyMKIINQZOQBAGCV-CYBMUJFWSA-N
XLogP1.35
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 136916442
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
(3S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 136858396
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 95539357
(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580711
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96575243
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 95398944
(3S)-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95551272
(3R)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553413
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873468

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide (CID 136822796) is (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide is Cc1nc(CNC(=O)[C@@H]2CCCN(C3CCCC3)C2)cc(=O)[nH]1.
What is the InChIKey of (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is MKIINQZOQBAGCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-19-14(9-16(22)20-12)10-18-17(23)13-5-4-8-21(11-13)15-6-2-3-7-15/h9,13,15H,2-8,10-11H2,1H3,(H,18,23)(H,19,20,22)/t13-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide?
(3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 136822796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).