benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate

C22H27N3O4 — CID 70380105

IUPACbenzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate
SMILESCNC1(C(=O)Nc2ccccc2OC)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O4/c1-23-22(20(26)24-18-10-6-7-11-19(18)28-2)12-14-25(15-13-22)21(27)29-16-17-8-4-3-5-9-17/h3-11,23H,12-16H2,1-2H3,(H,24,26)
InChIKeyDMIJFJAASUPGTE-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.02
Rot. Bonds6

About benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate

benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate (PubChem CID 70380105) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate
PubChem CID70380105
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Namebenzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate
SMILESCNC1(C(=O)Nc2ccccc2OC)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H27N3O4/c1-23-22(20(26)24-18-10-6-7-11-19(18)28-2)12-14-25(15-13-22)21(27)29-16-17-8-4-3-5-9-17/h3-11,23H,12-16H2,1-2H3,(H,24,26)
InChIKeyDMIJFJAASUPGTE-UHFFFAOYSA-N
XLogP3.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
benzyl 4-[(2-bromoacetyl)amino]-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 11122487
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
CID 130516767
1-O-benzyl 4-O-methyl 4-[(3-ethoxy-3-oxopropanoyl)amino]piperidine-1,4-dicarboxylate
CID 70987725
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[(1-methylcyclopropyl)methyl]piperazine-1-carboxylate
CID 167628584
1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate
CID 58371984
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate (CID 70380105) is benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate is CNC1(C(=O)Nc2ccccc2OC)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate?
The InChIKey is DMIJFJAASUPGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-23-22(20(26)24-18-10-6-7-11-19(18)28-2)12-14-25(15-13-22)21(27)29-16-17-8-4-3-5-9-17/h3-11,23H,12-16H2,1-2H3,(H,24,26).
What are the key properties of benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate?
benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2-methoxyphenyl)carbamoyl]-4-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 70380105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).