2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one

C23H26ClN5O3 — CID 134797355

IUPAC2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C(c1ccc(Cl)nc1)N1CCCC(C(=O)N2CCC(N3Cc4cccn4C3=O)CC2)C1
InChIInChI=1S/C23H26ClN5O3/c24-20-6-5-16(13-25-20)21(30)27-9-1-3-17(14-27)22(31)26-11-7-18(8-12-26)29-15-19-4-2-10-28(19)23(29)32/h2,4-6,10,13,17-18H,1,3,7-9,11-12,14-15H2
InChIKeyAQHCYAQOAVJCKJ-UHFFFAOYSA-N
MW455.95 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one

2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one (PubChem CID 134797355) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one.

Molecular Properties

Compound Name2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
PubChem CID134797355
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
SMILESO=C(c1ccc(Cl)nc1)N1CCCC(C(=O)N2CCC(N3Cc4cccn4C3=O)CC2)C1
InChIInChI=1S/C23H26ClN5O3/c24-20-6-5-16(13-25-20)21(30)27-9-1-3-17(14-27)22(31)26-11-7-18(8-12-26)29-15-19-4-2-10-28(19)23(29)32/h2,4-6,10,13,17-18H,1,3,7-9,11-12,14-15H2
InChIKeyAQHCYAQOAVJCKJ-UHFFFAOYSA-N
XLogP2.86
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
CID 134791159
2-[1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one
CID 134800182
(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
CID 134797681
CID 134797681
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799605
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 75361395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
The IUPAC name of 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one (CID 134797355) is 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one.
What is the SMILES notation for 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
The canonical SMILES for 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one is O=C(c1ccc(Cl)nc1)N1CCCC(C(=O)N2CCC(N3Cc4cccn4C3=O)CC2)C1.
What is the InChIKey of 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
The InChIKey is AQHCYAQOAVJCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c24-20-6-5-16(13-25-20)21(30)27-9-1-3-17(14-27)22(31)26-11-7-18(8-12-26)29-15-19-4-2-10-28(19)23(29)32/h2,4-6,10,13,17-18H,1,3,7-9,11-12,14-15H2.
What are the key properties of 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one?
2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one has a molecular weight of 455.95 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(6-chloropyridine-3-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]-1H-pyrrolo[1,2-c]imidazol-3-one is sourced from PubChem (CID 134797355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).