[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone

C23H26N4O — CID 10499664

IUPAC[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc(-c2cccnc2)[nH]1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23(22-11-10-21(25-22)20-9-4-12-24-18-20)27-16-14-26(15-17-27)13-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-12,18,25H,5,8,13-17H2
InChIKeyHJWNYFRKWAGARO-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.47
Rot. Bonds6

About [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone

[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone (PubChem CID 10499664) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone
PubChem CID10499664
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc(-c2cccnc2)[nH]1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23(22-11-10-21(25-22)20-9-4-12-24-18-20)27-16-14-26(15-17-27)13-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-12,18,25H,5,8,13-17H2
InChIKeyHJWNYFRKWAGARO-UHFFFAOYSA-N
XLogP3.47
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-[4-(5-pyridin-3-yl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 53180973
(4-fluoro-1H-pyrrol-2-yl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone
CID 155944969
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 10692940
N-methyl-1-(3-phenylpropyl)-4-[(4-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360822
2-chloro-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 12563664
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110608671
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
(3-phenyl-1H-pyrazol-5-yl)-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 71702362
oxalic acid;[4-(3-phenylpropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 2927354
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone (CID 10499664) is [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone is O=C(c1ccc(-c2cccnc2)[nH]1)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone?
The InChIKey is HJWNYFRKWAGARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(22-11-10-21(25-22)20-9-4-12-24-18-20)27-16-14-26(15-17-27)13-5-8-19-6-2-1-3-7-19/h1-4,6-7,9-12,18,25H,5,8,13-17H2.
What are the key properties of [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone?
[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 10499664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).