benzylcarbamic acid;piperidine-4-carbaldehyde

C14H20N2O3 — CID 174390910

IUPACbenzylcarbamic acid;piperidine-4-carbaldehyde
SMILESO=C(O)NCc1ccccc1.O=CC1CCNCC1
InChIInChI=1S/C8H9NO2.C6H11NO/c10-8(11)9-6-7-4-2-1-3-5-7;8-5-6-1-3-7-4-2-6/h1-5,9H,6H2,(H,10,11);5-7H,1-4H2
InChIKeyRXZBBLTYFXYPIH-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.64
Rot. Bonds3

About benzylcarbamic acid;piperidine-4-carbaldehyde

benzylcarbamic acid;piperidine-4-carbaldehyde (PubChem CID 174390910) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzylcarbamic acid;piperidine-4-carbaldehyde.

Molecular Properties

Compound Namebenzylcarbamic acid;piperidine-4-carbaldehyde
PubChem CID174390910
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzylcarbamic acid;piperidine-4-carbaldehyde
SMILESO=C(O)NCc1ccccc1.O=CC1CCNCC1
InChIInChI=1S/C8H9NO2.C6H11NO/c10-8(11)9-6-7-4-2-1-3-5-7;8-5-6-1-3-7-4-2-6/h1-5,9H,6H2,(H,10,11);5-7H,1-4H2
InChIKeyRXZBBLTYFXYPIH-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzylpiperidine-4-carboxamide
CID 3868064
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-benzyl-N'-(piperidine-4-carbonyl)oxamide
CID 108508974
benzylcarbamic acid;N,N-dimethylformamide
CID 175901151
1-benzyl-3-[(3S,4R)-4-hydroxypiperidin-3-yl]urea;formic acid
CID 154905170
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
CID 130891385
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119929795
3-benzyl-1-(piperidin-4-ylmethyl)-1-propan-2-ylurea
CID 107654227
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
[3-[(cyclohexylmethylamino)methyl]phenyl]methylcarbamic acid
CID 68520941
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820

Frequently Asked Questions

What is the IUPAC name of benzylcarbamic acid;piperidine-4-carbaldehyde?
The IUPAC name of benzylcarbamic acid;piperidine-4-carbaldehyde (CID 174390910) is benzylcarbamic acid;piperidine-4-carbaldehyde.
What is the SMILES notation for benzylcarbamic acid;piperidine-4-carbaldehyde?
The canonical SMILES for benzylcarbamic acid;piperidine-4-carbaldehyde is O=C(O)NCc1ccccc1.O=CC1CCNCC1.
What is the InChIKey of benzylcarbamic acid;piperidine-4-carbaldehyde?
The InChIKey is RXZBBLTYFXYPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C6H11NO/c10-8(11)9-6-7-4-2-1-3-5-7;8-5-6-1-3-7-4-2-6/h1-5,9H,6H2,(H,10,11);5-7H,1-4H2.
What are the key properties of benzylcarbamic acid;piperidine-4-carbaldehyde?
benzylcarbamic acid;piperidine-4-carbaldehyde has a molecular weight of 264.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzylcarbamic acid;piperidine-4-carbaldehyde is sourced from PubChem (CID 174390910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).