benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate

C16H23N3O3 — CID 77144045

IUPACbenzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
SMILESCC(N)C(=O)N1CCCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c1-12(17)15(20)19-9-5-8-14(10-19)18-16(21)22-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,17H2,1H3,(H,18,21)
InChIKeyBFDWAKAMFAYIKM-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.25
Rot. Bonds4

About benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate

benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate (PubChem CID 77144045) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
PubChem CID77144045
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namebenzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate
SMILESCC(N)C(=O)N1CCCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H23N3O3/c1-12(17)15(20)19-9-5-8-14(10-19)18-16(21)22-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,17H2,1H3,(H,18,21)
InChIKeyBFDWAKAMFAYIKM-UHFFFAOYSA-N
XLogP1.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]carbamate
CID 66566796
benzyl N-[(3R)-1-[(2S,3R)-2-amino-3-(cyclohexylmethoxy)butanoyl]piperidin-3-yl]carbamate
CID 171593752
benzyl N-[(3S)-1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566590
benzyl N-[1-(4-chlorobenzoyl)piperidin-3-yl]carbamate
CID 68593392
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553995
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553994
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
CID 77144080
benzyl N-(1-acetylazetidin-3-yl)carbamate
CID 118370546
benzyl N-[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]-N-ethylcarbamate
CID 66566756
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate (CID 77144045) is benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate is CC(N)C(=O)N1CCCC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate?
The InChIKey is BFDWAKAMFAYIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(17)15(20)19-9-5-8-14(10-19)18-16(21)22-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,17H2,1H3,(H,18,21).
What are the key properties of benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate?
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 77144045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).