cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone

C29H37N3O3 — CID 93154961

IUPACcyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C29H37N3O3/c1-21-8-3-6-13-27(21)30-14-16-31(17-15-30)29(34)26-20-32(28(33)22-9-4-5-10-22)19-25(26)23-11-7-12-24(18-23)35-2/h3,6-8,11-13,18,22,25-26H,4-5,9-10,14-17,19-20H2,1-2H3/t25-,26+/m0/s1
InChIKeyNDZZIWHOJOWHRI-IZZNHLLZSA-N
MW475.63 g/mol
LogP4.08
Rot. Bonds5

About cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone

cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone (PubChem CID 93154961) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone
PubChem CID93154961
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC Namecyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C29H37N3O3/c1-21-8-3-6-13-27(21)30-14-16-31(17-15-30)29(34)26-20-32(28(33)22-9-4-5-10-22)19-25(26)23-11-7-12-24(18-23)35-2/h3,6-8,11-13,18,22,25-26H,4-5,9-10,14-17,19-20H2,1-2H3/t25-,26+/m0/s1
InChIKeyNDZZIWHOJOWHRI-IZZNHLLZSA-N
XLogP4.08
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-benzoyl-4-(3-methoxyphenyl)pyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42682036
cyclopropyl-[3-(4-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 42680307
[4-(3-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42830921
cyclopropyl-[(3R,4S)-3-(2,5-dimethoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 93154682
[(3R,4R)-1-(3-methoxybenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 98184874
(3R,4S)-1-(1-acetylpiperidine-4-carbonyl)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133114687
[(3S,4R)-4-(4-methoxyphenyl)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 93148949
cyclopentyl-[(3R,4R)-3-(2,4-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 93154878
1-[(3S,4R)-3-(2,5-dimethoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 93154678
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
1-(cyclopentanecarbonyl)-4-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42826744
[1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42826014

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone (CID 93154961) is cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone is COc1cccc([C@@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CCN(c3ccccc3C)CC2)c1.
What is the InChIKey of cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone?
The InChIKey is NDZZIWHOJOWHRI-IZZNHLLZSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-21-8-3-6-13-27(21)30-14-16-31(17-15-30)29(34)26-20-32(28(33)22-9-4-5-10-22)19-25(26)23-11-7-12-24(18-23)35-2/h3,6-8,11-13,18,22,25-26H,4-5,9-10,14-17,19-20H2,1-2H3/t25-,26+/m0/s1.
What are the key properties of cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone?
cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone has a molecular weight of 475.63 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R,4S)-3-(3-methoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 93154961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).