[1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C22H26N4O2 — CID 119064242

IUPAC[1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ccnc(-c2cccc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)c2)c1
InChIInChI=1S/C22H26N4O2/c23-19-6-9-24-20(15-19)17-4-3-5-18(14-17)22(28)26-12-7-16(8-13-26)21(27)25-10-1-2-11-25/h3-6,9,14-16H,1-2,7-8,10-13H2,(H2,23,24)
InChIKeyKZKHLTNMGZDBFQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.81
Rot. Bonds3

About [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 119064242) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID119064242
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ccnc(-c2cccc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)c2)c1
InChIInChI=1S/C22H26N4O2/c23-19-6-9-24-20(15-19)17-4-3-5-18(14-17)22(28)26-12-7-16(8-13-26)21(27)25-10-1-2-11-25/h3-6,9,14-16H,1-2,7-8,10-13H2,(H2,23,24)
InChIKeyKZKHLTNMGZDBFQ-UHFFFAOYSA-N
XLogP2.81
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 74232037
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 28881895
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55633554
[1-(3-chlorobenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38490514
[1-(2,1,3-benzoxadiazole-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70755584
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 119735039

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 119064242) is [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is Nc1ccnc(-c2cccc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)c2)c1.
What is the InChIKey of [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KZKHLTNMGZDBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-19-6-9-24-20(15-19)17-4-3-5-18(14-17)22(28)26-12-7-16(8-13-26)21(27)25-10-1-2-11-25/h3-6,9,14-16H,1-2,7-8,10-13H2,(H2,23,24).
What are the key properties of [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 378.48 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 119064242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).