1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one

C22H26N4O2 — CID 56880689

IUPAC1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc(NCc2ccncc2)cc1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C22H26N4O2/c27-21-2-1-13-26(21)20-9-14-25(15-10-20)22(28)18-3-5-19(6-4-18)24-16-17-7-11-23-12-8-17/h3-8,11-12,20,24H,1-2,9-10,13-16H2
InChIKeyNWKYTUZNKDRFQQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.92
Rot. Bonds5

About 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56880689) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID56880689
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc(NCc2ccncc2)cc1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C22H26N4O2/c27-21-2-1-13-26(21)20-9-14-25(15-10-20)22(28)18-3-5-19(6-4-18)24-16-17-7-11-23-12-8-17/h3-8,11-12,20,24H,1-2,9-10,13-16H2
InChIKeyNWKYTUZNKDRFQQ-UHFFFAOYSA-N
XLogP2.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-[(1-methylpyrazol-4-yl)methylamino]benzoyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 166253197
[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-[4-(pyridin-4-ylmethylamino)phenyl]methanone
CID 95132460
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109044877
(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899305
3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160175
[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808
1-[1-[5-(hydroxymethyl)furan-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 56879144
(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone
CID 62179529
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-4-ylmethyl)acetamide
CID 93208855
5-(pyridin-4-ylmethylamino)benzene-1,3-dicarboxylic acid
CID 101486213

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one (CID 56880689) is 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one is O=C(c1ccc(NCc2ccncc2)cc1)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is NWKYTUZNKDRFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21-2-1-13-26(21)20-9-14-25(15-10-20)22(28)18-3-5-19(6-4-18)24-16-17-7-11-23-12-8-17/h3-8,11-12,20,24H,1-2,9-10,13-16H2.
What are the key properties of 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56880689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).