(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C18H21ClN4O — CID 1452520

IUPAC(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H21ClN4O/c19-16-6-4-14(5-7-16)8-11-20-17(24)15-3-1-12-23(13-15)18-21-9-2-10-22-18/h2,4-7,9-10,15H,1,3,8,11-13H2,(H,20,24)/t15-/m1/s1
InChIKeyZBEYWTQDHYHAQS-OAHLLOKOSA-N
MW344.85 g/mol
LogP2.71
Rot. Bonds5

About (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 1452520) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID1452520
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H21ClN4O/c19-16-6-4-14(5-7-16)8-11-20-17(24)15-3-1-12-23(13-15)18-21-9-2-10-22-18/h2,4-7,9-10,15H,1,3,8,11-13H2,(H,20,24)/t15-/m1/s1
InChIKeyZBEYWTQDHYHAQS-OAHLLOKOSA-N
XLogP2.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide
CID 24748513
2-[4-(4-Chlorobenzoyl)piperazin-1-yl]pyrimidine
CID 727060
2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide
CID 669885
2-(butylamino)-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327871
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2-ethyl-phenyl)-amide
CID 3221260
2-{4-[3-(2-Chlorophenyl)acryloyl]-1-piperazinyl}pyrimidine
CID 898084
2-[3-(4-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11269073
[4-(4-Chlorophenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15951123
N-{[1-(3-phenylpropanoyl)piperidin-4-yl]methyl}pyrimidin-2-amine
CID 16109399
4-chloro-N-((cis)-4-(4-(dimethylamino)-5-methylpyrimidin-2-ylamino)cyclohexyl)benzamide
CID 23027411

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 1452520) is (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZBEYWTQDHYHAQS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-16-6-4-14(5-7-16)8-11-20-17(24)15-3-1-12-23(13-15)18-21-9-2-10-22-18/h2,4-7,9-10,15H,1,3,8,11-13H2,(H,20,24)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 1452520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).