1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one

C25H33N5O2 — CID 166228383

IUPAC1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one
SMILESCN(C)Cc1ccc(N2CCN(C(=O)C3CCC(=O)N(Cc4ccccc4)C3)CC2)nc1
InChIInChI=1S/C25H33N5O2/c1-27(2)17-21-8-10-23(26-16-21)28-12-14-29(15-13-28)25(32)22-9-11-24(31)30(19-22)18-20-6-4-3-5-7-20/h3-8,10,16,22H,9,11-15,17-19H2,1-2H3
InChIKeyPIGPHKVCEUDLDY-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.23
Rot. Bonds6

About 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one

1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one (PubChem CID 166228383) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one
PubChem CID166228383
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one
SMILESCN(C)Cc1ccc(N2CCN(C(=O)C3CCC(=O)N(Cc4ccccc4)C3)CC2)nc1
InChIInChI=1S/C25H33N5O2/c1-27(2)17-21-8-10-23(26-16-21)28-12-14-29(15-13-28)25(32)22-9-11-24(31)30(19-22)18-20-6-4-3-5-7-20/h3-8,10,16,22H,9,11-15,17-19H2,1-2H3
InChIKeyPIGPHKVCEUDLDY-UHFFFAOYSA-N
XLogP2.23
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-4-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 167890751
2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166261507
ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazine-1-carboxylate
CID 42394382
1-[(4-chlorophenyl)methyl]-5-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]piperidin-2-one
CID 24819382
5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
CID 45215310
1-[(4-chlorophenyl)methyl]-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 24790872
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168
4-benzyl-1-(5-methyl-2-pyridinyl)-1,4-diazepan-5-one
CID 91370929
1-[(4-chlorophenyl)methyl]-5-(1,1-dioxo-1,4-thiazinane-4-carbonyl)piperidin-2-one
CID 45217031
4-[1-[2-(dimethylamino)ethyl]-6-oxopiperidine-3-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45204392

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one (CID 166228383) is 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one is CN(C)Cc1ccc(N2CCN(C(=O)C3CCC(=O)N(Cc4ccccc4)C3)CC2)nc1.
What is the InChIKey of 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is PIGPHKVCEUDLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-27(2)17-21-8-10-23(26-16-21)28-12-14-29(15-13-28)25(32)22-9-11-24(31)30(19-22)18-20-6-4-3-5-7-20/h3-8,10,16,22H,9,11-15,17-19H2,1-2H3.
What are the key properties of 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one?
1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 435.57 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 166228383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).