1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide

C16H21ClN4O2 — CID 74601974

IUPAC1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CC(c3ccc(Cl)cc3)NN2)CC1
InChIInChI=1S/C16H21ClN4O2/c17-12-3-1-10(2-4-12)13-9-14(20-19-13)16(23)21-7-5-11(6-8-21)15(18)22/h1-4,11,13-14,19-20H,5-9H2,(H2,18,22)
InChIKeyURMWLOJDMCBEDC-UHFFFAOYSA-N
MW336.82 g/mol
LogP0.97
Rot. Bonds3

About 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide

1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 74601974) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID74601974
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CC(c3ccc(Cl)cc3)NN2)CC1
InChIInChI=1S/C16H21ClN4O2/c17-12-3-1-10(2-4-12)13-9-14(20-19-13)16(23)21-7-5-11(6-8-21)15(18)22/h1-4,11,13-14,19-20H,5-9H2,(H2,18,22)
InChIKeyURMWLOJDMCBEDC-UHFFFAOYSA-N
XLogP0.97
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 74629892
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)pyrazolidin-3-yl]methanone
CID 77115341
1-(5-phenylpyrazolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 76985388
(1S,5R)-3-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 133266756
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[5-(3,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
CID 78154311
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 134125918
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxylate
CID 75138329
2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 75270626

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide (CID 74601974) is 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CC(c3ccc(Cl)cc3)NN2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is URMWLOJDMCBEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c17-12-3-1-10(2-4-12)13-9-14(20-19-13)16(23)21-7-5-11(6-8-21)15(18)22/h1-4,11,13-14,19-20H,5-9H2,(H2,18,22).
What are the key properties of 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide?
1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 74601974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).