N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C18H22N4O — CID 3223381

IUPACN-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C18H22N4O/c1-14-9-10-19-18(21-14)22-11-5-8-16(13-22)17(23)20-12-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,23)
InChIKeyANQIJZDRXBTCKH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.32
Rot. Bonds4

About N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 3223381) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID3223381
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCc3ccccc3)C2)n1
InChIInChI=1S/C18H22N4O/c1-14-9-10-19-18(21-14)22-11-5-8-16(13-22)17(23)20-12-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,23)
InChIKeyANQIJZDRXBTCKH-UHFFFAOYSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 3223381) is N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)NCc3ccccc3)C2)n1.
What is the InChIKey of N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is ANQIJZDRXBTCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-9-10-19-18(21-14)22-11-5-8-16(13-22)17(23)20-12-15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-13H2,1H3,(H,20,23).
What are the key properties of N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 3223381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).