methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate

C18H24N2O3 — CID 134793006

IUPACmethyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c1-23-18(22)20-11-5-8-16(20)17(21)19-12-9-15(10-13-19)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyGSNMBHWMFCLUIK-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.62
Rot. Bonds2

About methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate

methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 134793006) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
PubChem CID134793006
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H24N2O3/c1-23-18(22)20-11-5-8-16(20)17(21)19-12-9-15(10-13-19)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyGSNMBHWMFCLUIK-UHFFFAOYSA-N
XLogP2.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate 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

2-phenyl-1-[2-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 47721714
methyl (2R)-2-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 44550100
methyl (2R)-2-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97201426
methyl 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 110754503
benzyl 2-(4-methylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 3556516
methyl 2-[4-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 90648666
2-methoxy-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 112687859
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
tert-butyl 2-[4-(benzenesulfonamido)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 55523801
methyl 2-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)piperidine-1-carboxylate
CID 72885038
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
methyl (2R)-2-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 97192692

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate (CID 134793006) is methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate is COC(=O)N1CCCC1C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is GSNMBHWMFCLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-18(22)20-11-5-8-16(20)17(21)19-12-9-15(10-13-19)14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3.
What are the key properties of methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate?
methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-phenylpiperidine-1-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 134793006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).