4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide

C22H31N5O — CID 57149348

IUPAC4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide
SMILESCCN(CC)CCC1(c2ccccc2)CCN(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C22H31N5O/c1-3-26(4-2)16-11-22(19-9-6-5-7-10-19)12-17-27(18-13-22)21(28)25-20-23-14-8-15-24-20/h5-10,14-15H,3-4,11-13,16-18H2,1-2H3,(H,23,24,25,28)
InChIKeyKXCDZOGKOSWVSU-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.77
Rot. Bonds7

About 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide

4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide (PubChem CID 57149348) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide
PubChem CID57149348
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide
SMILESCCN(CC)CCC1(c2ccccc2)CCN(C(=O)Nc2ncccn2)CC1
InChIInChI=1S/C22H31N5O/c1-3-26(4-2)16-11-22(19-9-6-5-7-10-19)12-17-27(18-13-22)21(28)25-20-23-14-8-15-24-20/h5-10,14-15H,3-4,11-13,16-18H2,1-2H3,(H,23,24,25,28)
InChIKeyKXCDZOGKOSWVSU-UHFFFAOYSA-N
XLogP3.77
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(2-hydroxyacetyl)pyrimidin-2-yl]methyl]-N,4-diphenylpiperidine-1-carboxamide
CID 146689611
2-[4-(pyrimidin-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 62312091
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 113213858
3-(hydroxymethyl)-N-(3-methoxy-1-methylpyrazol-4-yl)-3-phenylpyrrolidine-1-carboxamide
CID 154745719
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-(2-butyl-5-methylpyrazol-3-yl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 72857286
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597815
2-(diethylamino)ethyl 1-phenylcyclobutane-1-carboxylate
CID 23295003

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide (CID 57149348) is 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide is CCN(CC)CCC1(c2ccccc2)CCN(C(=O)Nc2ncccn2)CC1.
What is the InChIKey of 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide?
The InChIKey is KXCDZOGKOSWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-3-26(4-2)16-11-22(19-9-6-5-7-10-19)12-17-27(18-13-22)21(28)25-20-23-14-8-15-24-20/h5-10,14-15H,3-4,11-13,16-18H2,1-2H3,(H,23,24,25,28).
What are the key properties of 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide?
4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]-4-phenyl-N-pyrimidin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 57149348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).