ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate

C19H28N2O3 — CID 27534219

IUPACethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N[C@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-24-18(22)17-11-13-21(14-12-17)19(23)20-15(2)9-10-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyBSZAJHHNBKFHGC-OAHLLOKOSA-N
MW332.44 g/mol
LogP2.99
Rot. Bonds6

About ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate

ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate (PubChem CID 27534219) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
PubChem CID27534219
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nameethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N[C@H](C)CCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-24-18(22)17-11-13-21(14-12-17)19(23)20-15(2)9-10-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyBSZAJHHNBKFHGC-OAHLLOKOSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
ethyl 1-[1-(4-hydroxyphenyl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577832
ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 60547124
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
4-benzoyl-N-[4-(4-hydroxyphenyl)butan-2-yl]piperidine-1-carboxamide
CID 86927572
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577460
ethyl 1-[(2-hydroxyphenyl)carbamoyl]piperidine-4-carboxylate
CID 108871379
ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate
CID 108876410

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate (CID 27534219) is ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)N[C@H](C)CCc2ccccc2)CC1.
What is the InChIKey of ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate?
The InChIKey is BSZAJHHNBKFHGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-24-18(22)17-11-13-21(14-12-17)19(23)20-15(2)9-10-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate?
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 27534219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).