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

C18H21ClN4O — CID 3223370

IUPACN-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN(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)
InChIKeyZBEYWTQDHYHAQS-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.71
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 3223370) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID3223370
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN(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)
InChIKeyZBEYWTQDHYHAQS-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 3223370) is N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZBEYWTQDHYHAQS-UHFFFAOYSA-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).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
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 N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3223370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).