2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide

C21H26N4O — CID 131915442

IUPAC2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCCC(c2ccccc2)C1)c1cnc(C2CC2)nc1
InChIInChI=1S/C21H26N4O/c26-21(19-13-23-20(24-14-19)17-8-9-17)22-10-12-25-11-4-7-18(15-25)16-5-2-1-3-6-16/h1-3,5-6,13-14,17-18H,4,7-12,15H2,(H,22,26)
InChIKeyTWUMHAWPNPMTEK-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.96
Rot. Bonds6

About 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide

2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 131915442) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID131915442
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCCC(c2ccccc2)C1)c1cnc(C2CC2)nc1
InChIInChI=1S/C21H26N4O/c26-21(19-13-23-20(24-14-19)17-8-9-17)22-10-12-25-11-4-7-18(15-25)16-5-2-1-3-6-16/h1-3,5-6,13-14,17-18H,4,7-12,15H2,(H,22,26)
InChIKeyTWUMHAWPNPMTEK-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74249904
N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 131910534
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457
4-(2-hydroxyethyl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 121495919
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 77086601
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
1-methyl-6-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 74246029
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide (CID 131915442) is 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide is O=C(NCCN1CCCC(c2ccccc2)C1)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is TWUMHAWPNPMTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(19-13-23-20(24-14-19)17-8-9-17)22-10-12-25-11-4-7-18(15-25)16-5-2-1-3-6-16/h1-3,5-6,13-14,17-18H,4,7-12,15H2,(H,22,26).
What are the key properties of 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide?
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 131915442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).