benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate

C19H28N2O4 — CID 60593292

IUPACbenzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCOCCCN(C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-20(11-6-14-24-2)18(22)17-9-12-21(13-10-17)19(23)25-15-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3
InChIKeyNIRBYJCRDABHIP-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.53
Rot. Bonds7

About benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate

benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 60593292) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate
PubChem CID60593292
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebenzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCOCCCN(C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H28N2O4/c1-20(11-6-14-24-2)18(22)17-9-12-21(13-10-17)19(23)25-15-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3
InChIKeyNIRBYJCRDABHIP-UHFFFAOYSA-N
XLogP2.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
CID 90350135
CID 90350135
benzyl (3S)-3-carbonochloridoylpyrrolidine-1-carboxylate
CID 125117165
benzyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 108562757
benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate
CID 60592903
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]piperidine-1-carboxylate
CID 157021734
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
4-(1-phenylmethoxycarbonylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 139534540

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate (CID 60593292) is benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate is COCCCN(C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is NIRBYJCRDABHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-20(11-6-14-24-2)18(22)17-9-12-21(13-10-17)19(23)25-15-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3.
What are the key properties of benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate?
benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[3-methoxypropyl(methyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 60593292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).