1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone

C22H34N4O — CID 28957439

IUPAC1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)CC1
InChIInChI=1S/C22H34N4O/c1-19(27)23-12-9-21(10-13-23)26-11-5-8-22(18-26)25-16-14-24(15-17-25)20-6-3-2-4-7-20/h2-4,6-7,21-22H,5,8-18H2,1H3/t22-/m1/s1
InChIKeyFVHCOWVEGCAXFP-JOCHJYFZSA-N
MW370.54 g/mol
LogP2.28
Rot. Bonds3

About 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone

1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 28957439) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID28957439
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)CC1
InChIInChI=1S/C22H34N4O/c1-19(27)23-12-9-21(10-13-23)26-11-5-8-22(18-26)25-16-14-24(15-17-25)20-6-3-2-4-7-20/h2-4,6-7,21-22H,5,8-18H2,1H3/t22-/m1/s1
InChIKeyFVHCOWVEGCAXFP-JOCHJYFZSA-N
XLogP2.28
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-4-phenylpiperazine
CID 2846720
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
oxalic acid;(4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 17369365
1-[3-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686098
(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369235
1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 42347424
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
1-[3,5-dimethyl-4-[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 42532943

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 28957439) is 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC[C@@H](N3CCN(c4ccccc4)CC3)C2)CC1.
What is the InChIKey of 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is FVHCOWVEGCAXFP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H34N4O/c1-19(27)23-12-9-21(10-13-23)26-11-5-8-22(18-26)25-16-14-24(15-17-25)20-6-3-2-4-7-20/h2-4,6-7,21-22H,5,8-18H2,1H3/t22-/m1/s1.
What are the key properties of 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 370.54 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 28957439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).