methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate

C30H45N3O3 — CID 102020330

IUPACmethyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
SMILESCOC(=O)N(CC1CCCC1)C1CCN([C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C30H45N3O3/c1-36-30(35)33(20-23-10-8-9-11-23)26-16-18-31(19-17-26)28-22-32(29(34)25-14-6-3-7-15-25)21-27(28)24-12-4-2-5-13-24/h2,4-5,12-13,23,25-28H,3,6-11,14-22H2,1H3/t27-,28+/m1/s1
InChIKeyBVCLKPDRHIRZOT-IZLXSDGUSA-N
MW495.71 g/mol
LogP5.28
Rot. Bonds6

About methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate

methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate (PubChem CID 102020330) has the molecular formula C30H45N3O3 and a molecular weight of 495.71 g/mol. Its IUPAC name is methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
PubChem CID102020330
Molecular FormulaC30H45N3O3
Molecular Weight495.71 g/mol
Exact Mass495.35
IUPAC Namemethyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
SMILESCOC(=O)N(CC1CCCC1)C1CCN([C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C30H45N3O3/c1-36-30(35)33(20-23-10-8-9-11-23)26-16-18-31(19-17-26)28-22-32(29(34)25-14-6-3-7-15-25)21-27(28)24-12-4-2-5-13-24/h2,4-5,12-13,23,25-28H,3,6-11,14-22H2,1H3/t27-,28+/m1/s1
InChIKeyBVCLKPDRHIRZOT-IZLXSDGUSA-N
XLogP5.28
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl-[(3S,4S)-3-[[4-[cyclopropylmethyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone
CID 505870
benzyl N-[1-[[(3S,4S)-1-(cyclohexanecarbonyl)-4-(3-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]-N-ethylcarbamate
CID 54327273
(3-chlorophenyl)-[(3R,4S)-3-phenyl-4-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]methanone
CID 102020263
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 120743578
(3S,4R)-1-[(3S)-oxane-3-carbonyl]-4-phenylpyrrolidine-3-carbonitrile
CID 125144231
cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone
CID 13039297
cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone
CID 46062658
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 120741957
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone
CID 120746309
4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 86851308
3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 120746164
cyclohexyl-[(3S,4R)-3-(dimethylamino)-4-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 70785544

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate?
The IUPAC name of methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate (CID 102020330) is methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate.
What is the SMILES notation for methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate?
The canonical SMILES for methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate is COC(=O)N(CC1CCCC1)C1CCN([C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate?
The InChIKey is BVCLKPDRHIRZOT-IZLXSDGUSA-N. The full InChI is InChI=1S/C30H45N3O3/c1-36-30(35)33(20-23-10-8-9-11-23)26-16-18-31(19-17-26)28-22-32(29(34)25-14-6-3-7-15-25)21-27(28)24-12-4-2-5-13-24/h2,4-5,12-13,23,25-28H,3,6-11,14-22H2,1H3/t27-,28+/m1/s1.
What are the key properties of methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate?
methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate has a molecular weight of 495.71 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(3R,4S)-1-(cyclohexanecarbonyl)-4-phenylpyrrolidin-3-yl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate is sourced from PubChem (CID 102020330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).