benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate

C15H19N3O4 — CID 171405341

IUPACbenzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
SMILESO=CNNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H19N3O4/c19-11-16-17-14(20)13-6-8-18(9-7-13)15(21)22-10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,19)(H,17,20)
InChIKeyVQBUKXBERHMPPP-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.81
Rot. Bonds5

About benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate

benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate (PubChem CID 171405341) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
PubChem CID171405341
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namebenzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
SMILESO=CNNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H19N3O4/c19-11-16-17-14(20)13-6-8-18(9-7-13)15(21)22-10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,19)(H,17,20)
InChIKeyVQBUKXBERHMPPP-UHFFFAOYSA-N
XLogP0.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
benzyl 4-[[(2S)-2-amino-3-phenylpropanoyl]oxycarbamoyl]piperidine-1-carboxylate
CID 54293771
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
CID 94177956
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540
benzyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 69063371
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate (CID 171405341) is benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate is O=CNNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate?
The InChIKey is VQBUKXBERHMPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-11-16-17-14(20)13-6-8-18(9-7-13)15(21)22-10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,16,19)(H,17,20).
What are the key properties of benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate?
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 171405341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).