1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide

C21H32N4O2 — CID 119444991

IUPAC1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c26-20(7-6-18-4-2-1-3-5-18)25-13-8-19(9-14-25)21(27)23-12-17-24-15-10-22-11-16-24/h1-5,19,22H,6-17H2,(H,23,27)
InChIKeyFZLITRKRWOBSMZ-UHFFFAOYSA-N
MW372.51 g/mol
LogP0.88
Rot. Bonds7

About 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide

1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 119444991) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
PubChem CID119444991
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCNCC1)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c26-20(7-6-18-4-2-1-3-5-18)25-13-8-19(9-14-25)21(27)23-12-17-24-15-10-22-11-16-24/h1-5,19,22H,6-17H2,(H,23,27)
InChIKeyFZLITRKRWOBSMZ-UHFFFAOYSA-N
XLogP0.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
1-benzoyl-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119447778
2-[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242488
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55633459
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-[2-(methylamino)propyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 120832856
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 120997056

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide (CID 119444991) is 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCNCC1)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is FZLITRKRWOBSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c26-20(7-6-18-4-2-1-3-5-18)25-13-8-19(9-14-25)21(27)23-12-17-24-15-10-22-11-16-24/h1-5,19,22H,6-17H2,(H,23,27).
What are the key properties of 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide?
1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 119444991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).