N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

C20H27N5O2 — CID 110281578

IUPACN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(C2C(C(=O)Nc3cc(CN(C)C)[nH]n3)CCC(=O)N2C)cc1
InChIInChI=1S/C20H27N5O2/c1-13-5-7-14(8-6-13)19-16(9-10-18(26)25(19)4)20(27)21-17-11-15(22-23-17)12-24(2)3/h5-8,11,16,19H,9-10,12H2,1-4H3,(H2,21,22,23,27)
InChIKeyKJUNDRXIKRVJQU-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.33
Rot. Bonds5

About N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide

N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 110281578) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID110281578
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(C2C(C(=O)Nc3cc(CN(C)C)[nH]n3)CCC(=O)N2C)cc1
InChIInChI=1S/C20H27N5O2/c1-13-5-7-14(8-6-13)19-16(9-10-18(26)25(19)4)20(27)21-17-11-15(22-23-17)12-24(2)3/h5-8,11,16,19H,9-10,12H2,1-4H3,(H2,21,22,23,27)
InChIKeyKJUNDRXIKRVJQU-UHFFFAOYSA-N
XLogP2.33
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 110281578) is N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(C2C(C(=O)Nc3cc(CN(C)C)[nH]n3)CCC(=O)N2C)cc1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is KJUNDRXIKRVJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-13-5-7-14(8-6-13)19-16(9-10-18(26)25(19)4)20(27)21-17-11-15(22-23-17)12-24(2)3/h5-8,11,16,19H,9-10,12H2,1-4H3,(H2,21,22,23,27).
What are the key properties of N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide?
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110281578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).