(3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide

C17H25N5O2 — CID 97115885

IUPAC(3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1cnc(N)nc1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H25N5O2/c1-21(10-12-8-19-17(18)20-9-12)16(24)13-6-7-15(23)22(11-13)14-4-2-3-5-14/h8-9,13-14H,2-7,10-11H2,1H3,(H2,18,19,20)/t13-/m0/s1
InChIKeyAQEAJGYPWAOJNX-ZDUSSCGKSA-N
MW331.42 g/mol
LogP1.20
Rot. Bonds4

About (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide

(3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 97115885) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID97115885
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCN(Cc1cnc(N)nc1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H25N5O2/c1-21(10-12-8-19-17(18)20-9-12)16(24)13-6-7-15(23)22(11-13)14-4-2-3-5-14/h8-9,13-14H,2-7,10-11H2,1H3,(H2,18,19,20)/t13-/m0/s1
InChIKeyAQEAJGYPWAOJNX-ZDUSSCGKSA-N
XLogP1.20
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 26328640
1-cyclopentyl-N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 72933035
(3S)-1-cycloheptyl-N-methyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 42395113
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
(3R)-1-cyclopentyl-N-ethyl-6-oxo-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 25275185
1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide
CID 45178689
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
1-cyclopentyl-N-methyl-5-oxo-N-(quinoxalin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 70738906
N-[[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]methyl]-N-methylcyclohexanecarboxamide
CID 163400980
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
(3R)-1-cycloheptyl-N-methyl-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 26402276
1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741608

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide (CID 97115885) is (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide is CN(Cc1cnc(N)nc1)C(=O)[C@H]1CCC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is AQEAJGYPWAOJNX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-21(10-12-8-19-17(18)20-9-12)16(24)13-6-7-15(23)22(11-13)14-4-2-3-5-14/h8-9,13-14H,2-7,10-11H2,1H3,(H2,18,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide?
(3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-aminopyrimidin-5-yl)methyl]-1-cyclopentyl-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97115885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).