methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate

C15H20N2O4 — CID 75369442

IUPACmethyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(=O)N2CCCC(OC)C2)c1
InChIInChI=1S/C15H20N2O4/c1-20-13-7-4-8-17(10-13)14(18)11-5-3-6-12(9-11)16-15(19)21-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyUKOGCCUCJBYHTN-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.12
Rot. Bonds3

About methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate

methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate (PubChem CID 75369442) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
PubChem CID75369442
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(=O)N2CCCC(OC)C2)c1
InChIInChI=1S/C15H20N2O4/c1-20-13-7-4-8-17(10-13)14(18)11-5-3-6-12(9-11)16-15(19)21-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,16,19)
InChIKeyUKOGCCUCJBYHTN-UHFFFAOYSA-N
XLogP2.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
tert-butyl (3aR,7aS)-5-[3-(methoxycarbonylamino)benzoyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate
CID 124882776
tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 24540087
[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 125165088
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 110900071
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
ethyl N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]carbamate
CID 9225746
[3-[3-(ethoxymethyl)piperidine-1-carbonyl]phenyl]urea
CID 119130031
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
CID 126440210

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate?
The IUPAC name of methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate (CID 75369442) is methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate is COC(=O)Nc1cccc(C(=O)N2CCCC(OC)C2)c1.
What is the InChIKey of methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate?
The InChIKey is UKOGCCUCJBYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-13-7-4-8-17(10-13)14(18)11-5-3-6-12(9-11)16-15(19)21-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H,16,19).
What are the key properties of methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate?
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate has a molecular weight of 292.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate is sourced from PubChem (CID 75369442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).