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

C18H21ClN4O — CID 1442114

IUPACN-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21ClN4O/c19-16-4-2-14(3-5-16)6-11-20-17(24)15-7-12-23(13-8-15)18-21-9-1-10-22-18/h1-5,9-10,15H,6-8,11-13H2,(H,20,24)
InChIKeyGTVHASZCRRTHCW-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.71
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 1442114) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID1442114
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21ClN4O/c19-16-4-2-14(3-5-16)6-11-20-17(24)15-7-12-23(13-8-15)18-21-9-1-10-22-18/h1-5,9-10,15H,6-8,11-13H2,(H,20,24)
InChIKeyGTVHASZCRRTHCW-UHFFFAOYSA-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

N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134799593
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 1442114) is N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is GTVHASZCRRTHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-16-4-2-14(3-5-16)6-11-20-17(24)15-7-12-23(13-8-15)18-21-9-1-10-22-18/h1-5,9-10,15H,6-8,11-13H2,(H,20,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-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 N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1442114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).