N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate

C20H22N3O3- — CID 86725196

IUPACN-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate
SMILESNc1cccc(C(=O)N2CCC(c3cccc(CNC(=O)[O-])c3)CC2)c1
InChIInChI=1S/C20H23N3O3/c21-18-6-2-5-17(12-18)19(24)23-9-7-15(8-10-23)16-4-1-3-14(11-16)13-22-20(25)26/h1-6,11-12,15,22H,7-10,13,21H2,(H,25,26)/p-1
InChIKeySAPYICCVIRSSFU-UHFFFAOYSA-M
MW352.41 g/mol
LogP1.72
Rot. Bonds4

About N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate

N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate (PubChem CID 86725196) has the molecular formula C20H22N3O3- and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound NameN-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate
PubChem CID86725196
Molecular FormulaC20H22N3O3-
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate
SMILESNc1cccc(C(=O)N2CCC(c3cccc(CNC(=O)[O-])c3)CC2)c1
InChIInChI=1S/C20H23N3O3/c21-18-6-2-5-17(12-18)19(24)23-9-7-15(8-10-23)16-4-1-3-14(11-16)13-22-20(25)26/h1-6,11-12,15,22H,7-10,13,21H2,(H,25,26)/p-1
InChIKeySAPYICCVIRSSFU-UHFFFAOYSA-M
XLogP1.72
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide
CID 143431944
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
benzyl N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate;benzyl N-[[3-[1-[3-[(2-cyclobutylideneacetyl)amino]benzoyl]piperidin-4-yl]phenyl]methyl]carbamate;2-cyclobutylideneacetic acid
CID 159661066
[3-[1-[3-(2,3-dihydroxypropanoylamino)benzoyl]piperidin-4-yl]phenyl]methylcarbamic acid
CID 67116102
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759304
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(3,4-dihydroxyphenyl)-[4-[3-(ethylaminomethyl)phenyl]piperidin-1-yl]methanone
CID 163533823
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
(3-aminophenyl)-(4-ethylpiperidin-1-yl)methanone;hydrochloride
CID 119741661

Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate?
The IUPAC name of N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate (CID 86725196) is N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate.
What is the SMILES notation for N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate?
The canonical SMILES for N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate is Nc1cccc(C(=O)N2CCC(c3cccc(CNC(=O)[O-])c3)CC2)c1.
What is the InChIKey of N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate?
The InChIKey is SAPYICCVIRSSFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H23N3O3/c21-18-6-2-5-17(12-18)19(24)23-9-7-15(8-10-23)16-4-1-3-14(11-16)13-22-20(25)26/h1-6,11-12,15,22H,7-10,13,21H2,(H,25,26)/p-1.
What are the key properties of N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate?
N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate has a molecular weight of 352.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 86725196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).