3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

C23H34N4O2 — CID 120997056

IUPAC3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCC(N3CCNCC3)C2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(7-6-19-4-2-1-3-5-19)26-13-8-20(9-14-26)23(29)27-15-10-21(18-27)25-16-11-24-12-17-25/h1-5,20-21,24H,6-18H2
InChIKeyULPBEKHDLJVDBU-UHFFFAOYSA-N
MW398.55 g/mol
LogP1.36
Rot. Bonds5

About 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 120997056) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID120997056
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(C(=O)N2CCC(N3CCNCC3)C2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(7-6-19-4-2-1-3-5-19)26-13-8-20(9-14-26)23(29)27-15-10-21(18-27)25-16-11-24-12-17-25/h1-5,20-21,24H,6-18H2
InChIKeyULPBEKHDLJVDBU-UHFFFAOYSA-N
XLogP1.36
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119635073
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
1-[4-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119470130
1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 120997845
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
CID 119239884
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
1-[4-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119487743
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-(3-piperazin-1-ylpyrrolidin-1-yl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 120996743
(3R,4R)-4-cyclopropyl-1-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120979845
N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide
CID 120995809

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 120997056) is 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC(C(=O)N2CCC(N3CCNCC3)C2)CC1.
What is the InChIKey of 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is ULPBEKHDLJVDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c28-22(7-6-19-4-2-1-3-5-19)26-13-8-20(9-14-26)23(29)27-15-10-21(18-27)25-16-11-24-12-17-25/h1-5,20-21,24H,6-18H2.
What are the key properties of 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 398.55 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 120997056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).