3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C15H24ClN5O2 — CID 72892139

IUPAC3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCCCn2cc(Cl)cn2)C1
InChIInChI=1S/C15H24ClN5O2/c1-19(2)15(23)20-7-3-5-12(10-20)14(22)17-6-4-8-21-11-13(16)9-18-21/h9,11-12H,3-8,10H2,1-2H3,(H,17,22)
InChIKeyTWSDLYFCWZCELG-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.44
Rot. Bonds5

About 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 72892139) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID72892139
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC Name3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCCCn2cc(Cl)cn2)C1
InChIInChI=1S/C15H24ClN5O2/c1-19(2)15(23)20-7-3-5-12(10-20)14(22)17-6-4-8-21-11-13(16)9-18-21/h9,11-12H,3-8,10H2,1-2H3,(H,17,22)
InChIKeyTWSDLYFCWZCELG-UHFFFAOYSA-N
XLogP1.44
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-N,1-N-dimethyl-3-N-[3-(4-methylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
CID 97193249
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
(3R,6S)-1-acetyl-6-amino-N-[3-(4-chloropyrazol-1-yl)propyl]azepane-3-carboxamide
CID 165421933
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
(3R)-3-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97207686
1-N,1-N-dimethyl-3-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
CID 72857111
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
1-N,1-N-dimethyl-3-N-[(E)-pent-3-enyl]piperidine-1,3-dicarboxamide
CID 115628009
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 72892139) is 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)NCCCn2cc(Cl)cn2)C1.
What is the InChIKey of 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is TWSDLYFCWZCELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5O2/c1-19(2)15(23)20-7-3-5-12(10-20)14(22)17-6-4-8-21-11-13(16)9-18-21/h9,11-12H,3-8,10H2,1-2H3,(H,17,22).
What are the key properties of 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 341.84 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(4-chloropyrazol-1-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 72892139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).