ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate

C19H26N2O3 — CID 97100234

IUPACethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@@H]2c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-2-24-19(23)21-12-6-9-15(13-21)18(22)20-17-11-10-16(17)14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3,(H,20,22)/t15-,16+,17-/m0/s1
InChIKeyKRHWVOMQAIOYDW-BBWFWOEESA-N
MW330.43 g/mol
LogP2.92
Rot. Bonds4

About ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate

ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 97100234) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate
PubChem CID97100234
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@@H]2c2ccccc2)C1
InChIInChI=1S/C19H26N2O3/c1-2-24-19(23)21-12-6-9-15(13-21)18(22)20-17-11-10-16(17)14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3,(H,20,22)/t15-,16+,17-/m0/s1
InChIKeyKRHWVOMQAIOYDW-BBWFWOEESA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-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

ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 43057131
ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 51653163
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 122001829
benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 67778403
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 60596637
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 134048726
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-[(3S)-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoyl]pyrrolidine-1-carbonyl]benzoyl]pyrrolidine-3-carboxamide;(3S)-N-[(1S,2R)-2-phenylcyclopropyl]-1-[4-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine-3-carboxamide;[4-(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 158693057

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate (CID 97100234) is ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@@H]2c2ccccc2)C1.
What is the InChIKey of ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is KRHWVOMQAIOYDW-BBWFWOEESA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-24-19(23)21-12-6-9-15(13-21)18(22)20-17-11-10-16(17)14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3,(H,20,22)/t15-,16+,17-/m0/s1.
What are the key properties of ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate?
ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 97100234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).