benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid

C16H23N3O3 — CID 67218488

IUPACbenzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid
SMILESO=C(NCCN(Cc1ccccc1)C(=O)O)C1CCNCC1
InChIInChI=1S/C16H23N3O3/c20-15(14-6-8-17-9-7-14)18-10-11-19(16(21)22)12-13-4-2-1-3-5-13/h1-5,14,17H,6-12H2,(H,18,20)(H,21,22)
InChIKeyBJRGBGZMFWZFHG-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.28
Rot. Bonds6

About benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid

benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid (PubChem CID 67218488) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid
PubChem CID67218488
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namebenzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid
SMILESO=C(NCCN(Cc1ccccc1)C(=O)O)C1CCNCC1
InChIInChI=1S/C16H23N3O3/c20-15(14-6-8-17-9-7-14)18-10-11-19(16(21)22)12-13-4-2-1-3-5-13/h1-5,14,17H,6-12H2,(H,18,20)(H,21,22)
InChIKeyBJRGBGZMFWZFHG-UHFFFAOYSA-N
XLogP1.28
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
N-benzylpiperidine-4-carboxamide
CID 3868064
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 120649533
N'-(2-phenylacetyl)piperidine-4-carbohydrazide
CID 82121690
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
N-benzyl-N'-(piperidine-4-carbonyl)oxamide
CID 108508974

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid?
The IUPAC name of benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid (CID 67218488) is benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid.
What is the SMILES notation for benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid?
The canonical SMILES for benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid is O=C(NCCN(Cc1ccccc1)C(=O)O)C1CCNCC1.
What is the InChIKey of benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid?
The InChIKey is BJRGBGZMFWZFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15(14-6-8-17-9-7-14)18-10-11-19(16(21)22)12-13-4-2-1-3-5-13/h1-5,14,17H,6-12H2,(H,18,20)(H,21,22).
What are the key properties of benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid?
benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid has a molecular weight of 305.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid is sourced from PubChem (CID 67218488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).