benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate

C16H23N3O3 — CID 177245020

IUPACbenzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate
SMILESO=C1CC(NCCCNC(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C16H23N3O3/c20-15-11-14(7-10-18-15)17-8-4-9-19-16(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2,(H,18,20)(H,19,21)
InChIKeyNRFUJMIUPIQYRE-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.17
Rot. Bonds7

About benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate

benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate (PubChem CID 177245020) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate
PubChem CID177245020
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namebenzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate
SMILESO=C1CC(NCCCNC(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C16H23N3O3/c20-15-11-14(7-10-18-15)17-8-4-9-19-16(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2,(H,18,20)(H,19,21)
InChIKeyNRFUJMIUPIQYRE-UHFFFAOYSA-N
XLogP1.17
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate
CID 166139678
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benzyl N-[4-(2,5-dioxopyrrolidin-3-yl)butyl]carbamate
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benzyl N-[5-[(2S)-3-oxoaziridin-2-yl]pentyl]carbamate
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benzyl N-(3-aminopropyl)carbamate;hydron;chloride
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benzyl N-[3-[(2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]propyl]carbamate
CID 71454072
benzyl N-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]ethyl]carbamate
CID 177028190
benzyl N-[(2-oxopyrrolidin-3-yl)amino]carbamate
CID 174500033
benzyl N-[2-[(3S)-pyrrolidin-3-yl]ethyl]carbamate
CID 97170433
benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate
CID 139846289
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate?
The IUPAC name of benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate (CID 177245020) is benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate?
The canonical SMILES for benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate is O=C1CC(NCCCNC(=O)OCc2ccccc2)CCN1.
What is the InChIKey of benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate?
The InChIKey is NRFUJMIUPIQYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15-11-14(7-10-18-15)17-8-4-9-19-16(21)22-12-13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2,(H,18,20)(H,19,21).
What are the key properties of benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate?
benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate has a molecular weight of 305.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(2-oxopiperidin-4-yl)amino]propyl]carbamate is sourced from PubChem (CID 177245020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).