4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide

C19H29ClN4O — CID 11574139

IUPAC4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O/c20-17-5-7-18(8-6-17)23-13-15-24(16-14-23)19(25)21-9-4-12-22-10-2-1-3-11-22/h5-8H,1-4,9-16H2,(H,21,25)
InChIKeyMGRLLRRXGXTYHZ-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.05
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide

4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 11574139) has the molecular formula C19H29ClN4O and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
PubChem CID11574139
Molecular FormulaC19H29ClN4O
Molecular Weight364.92 g/mol
Exact Mass364.20
IUPAC Name4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O/c20-17-5-7-18(8-6-17)23-13-15-24(16-14-23)19(25)21-9-4-12-22-10-2-1-3-11-22/h5-8H,1-4,9-16H2,(H,21,25)
InChIKeyMGRLLRRXGXTYHZ-UHFFFAOYSA-N
XLogP3.05
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-nitrophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11516334
4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 17171276
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
N-(2-morpholin-4-ylethyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113106083
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
N-butyl-4-[4-[(4-chlorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 4310467
N'-tert-butyl-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389873
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide (CID 11574139) is 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide is O=C(NCCCN1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The InChIKey is MGRLLRRXGXTYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O/c20-17-5-7-18(8-6-17)23-13-15-24(16-14-23)19(25)21-9-4-12-22-10-2-1-3-11-22/h5-8H,1-4,9-16H2,(H,21,25).
What are the key properties of 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 364.92 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 11574139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).