benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate

C15H21N3O4 — CID 140558127

IUPACbenzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
SMILESCOC1CN(C(N)=O)CCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H21N3O4/c1-21-13-9-18(14(16)19)8-7-12(13)17-15(20)22-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyQSXDUKMHJPNTMU-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.08
Rot. Bonds4

About benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate

benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate (PubChem CID 140558127) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
PubChem CID140558127
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namebenzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
SMILESCOC1CN(C(N)=O)CCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H21N3O4/c1-21-13-9-18(14(16)19)8-7-12(13)17-15(20)22-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyQSXDUKMHJPNTMU-UHFFFAOYSA-N
XLogP1.08
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-4-[3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 151817990
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
tert-butyl 3-methoxy-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 70982900
(1-carbamoyl-3-methoxypiperidin-4-yl)carbamic acid
CID 67548871
ethyl (3S,4R)-3-(cyclopropylmethoxy)-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 58066140
methyl 6-[(3S,4R)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-5-methylhexanoate
CID 157040623
(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 91439797
(3S,4S)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 145450382
methyl 4-[(3R,4S)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]pyridine-2-carboxylate
CID 86648699
methyl 4-[(3R,4S)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-6-methylpyridine-2-carboxylate
CID 86648714
benzyl (3R,4R)-4-hydroxy-3-methoxypiperidine-1-carboxylate
CID 90178387
(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 91321164

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate?
The IUPAC name of benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate (CID 140558127) is benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate.
What is the SMILES notation for benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate?
The canonical SMILES for benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate is COC1CN(C(N)=O)CCC1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate?
The InChIKey is QSXDUKMHJPNTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-21-13-9-18(14(16)19)8-7-12(13)17-15(20)22-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate?
benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate has a molecular weight of 307.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate is sourced from PubChem (CID 140558127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).