[(1-benzylpiperidin-4-yl)amino]carbamic acid

C13H19N3O2 — CID 68925695

IUPAC[(1-benzylpiperidin-4-yl)amino]carbamic acid
SMILESO=C(O)NNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H19N3O2/c17-13(18)15-14-12-6-8-16(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2,(H,17,18)
InChIKeyAEDRVDPFZZYSLE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.42
Rot. Bonds4

About [(1-benzylpiperidin-4-yl)amino]carbamic acid

[(1-benzylpiperidin-4-yl)amino]carbamic acid (PubChem CID 68925695) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [(1-benzylpiperidin-4-yl)amino]carbamic acid.

Molecular Properties

Compound Name[(1-benzylpiperidin-4-yl)amino]carbamic acid
PubChem CID68925695
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[(1-benzylpiperidin-4-yl)amino]carbamic acid
SMILESO=C(O)NNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H19N3O2/c17-13(18)15-14-12-6-8-16(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2,(H,17,18)
InChIKeyAEDRVDPFZZYSLE-UHFFFAOYSA-N
XLogP1.42
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
2-[(1-benzylpiperidin-4-yl)amino]-2-methylpropanamide
CID 61211452
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 119138505
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014

Frequently Asked Questions

What is the IUPAC name of [(1-benzylpiperidin-4-yl)amino]carbamic acid?
The IUPAC name of [(1-benzylpiperidin-4-yl)amino]carbamic acid (CID 68925695) is [(1-benzylpiperidin-4-yl)amino]carbamic acid.
What is the SMILES notation for [(1-benzylpiperidin-4-yl)amino]carbamic acid?
The canonical SMILES for [(1-benzylpiperidin-4-yl)amino]carbamic acid is O=C(O)NNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [(1-benzylpiperidin-4-yl)amino]carbamic acid?
The InChIKey is AEDRVDPFZZYSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(18)15-14-12-6-8-16(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2,(H,17,18).
What are the key properties of [(1-benzylpiperidin-4-yl)amino]carbamic acid?
[(1-benzylpiperidin-4-yl)amino]carbamic acid has a molecular weight of 249.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-benzylpiperidin-4-yl)amino]carbamic acid is sourced from PubChem (CID 68925695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).