N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide

C20H31N5O — CID 46967148

IUPACN-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)C1CCCC1
InChIInChI=1S/C20H31N5O/c26-19(16-5-1-2-6-16)22-17-8-13-24(14-9-17)15-18-7-10-21-20(23-18)25-11-3-4-12-25/h7,10,16-17H,1-6,8-9,11-15H2,(H,22,26)
InChIKeyVYONHMFJFFYDLC-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.35
Rot. Bonds5

About N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide

N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide (PubChem CID 46967148) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
PubChem CID46967148
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)C1CCCC1
InChIInChI=1S/C20H31N5O/c26-19(16-5-1-2-6-16)22-17-8-13-24(14-9-17)15-18-7-10-21-20(23-18)25-11-3-4-12-25/h7,10,16-17H,1-6,8-9,11-15H2,(H,22,26)
InChIKeyVYONHMFJFFYDLC-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 146126539
N-cyclopropyl-1-(1,3-oxazol-4-ylmethyl)piperidine-4-carboxamide
CID 172890946
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434496
2-hydroxypropane-1,2,3-tricarboxylic acid;N-[1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide
CID 171671757
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
2-pyrrolidin-1-yl-4-[[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 51505424
azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
CID 92612882
N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384645
(2-fluorophenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazin-1-yl]methanone
CID 92572364

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide (CID 46967148) is N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide is O=C(NC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)C1CCCC1.
What is the InChIKey of N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide?
The InChIKey is VYONHMFJFFYDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c26-19(16-5-1-2-6-16)22-17-8-13-24(14-9-17)15-18-7-10-21-20(23-18)25-11-3-4-12-25/h7,10,16-17H,1-6,8-9,11-15H2,(H,22,26).
What are the key properties of N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide?
N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 46967148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).