N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C21H27N5O — CID 55557554

IUPACN-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C21H27N5O/c27-20(17-8-6-15-26(16-17)21-22-11-7-12-23-21)24-18-9-2-3-10-19(18)25-13-4-1-5-14-25/h2-3,7,9-12,17H,1,4-6,8,13-16H2,(H,24,27)
InChIKeyRCHNRQXOQKEHQN-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.32
Rot. Bonds4

About N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 55557554) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID55557554
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC NameN-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C21H27N5O/c27-20(17-8-6-15-26(16-17)21-22-11-7-12-23-21)24-18-9-2-3-10-19(18)25-13-4-1-5-14-25/h2-3,7,9-12,17H,1,4-6,8,13-16H2,(H,24,27)
InChIKeyRCHNRQXOQKEHQN-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide 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

(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 40599471
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 121241056
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 55557554) is N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccccc1N1CCCCC1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is RCHNRQXOQKEHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c27-20(17-8-6-15-26(16-17)21-22-11-7-12-23-21)24-18-9-2-3-10-19(18)25-13-4-1-5-14-25/h2-3,7,9-12,17H,1,4-6,8,13-16H2,(H,24,27).
What are the key properties of N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55557554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).