1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid

C17H27N3O2 — CID 175598356

IUPAC1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid
SMILESCCC(Cc1cccc(NC2CCN(C)CC2)c1)NC(=O)O
InChIInChI=1S/C17H27N3O2/c1-3-14(19-17(21)22)11-13-5-4-6-16(12-13)18-15-7-9-20(2)10-8-15/h4-6,12,14-15,18-19H,3,7-11H2,1-2H3,(H,21,22)
InChIKeyBABNHPLBMRIQTB-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.78
Rot. Bonds6

About 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid

1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid (PubChem CID 175598356) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid
PubChem CID175598356
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid
SMILESCCC(Cc1cccc(NC2CCN(C)CC2)c1)NC(=O)O
InChIInChI=1S/C17H27N3O2/c1-3-14(19-17(21)22)11-13-5-4-6-16(12-13)18-15-7-9-20(2)10-8-15/h4-6,12,14-15,18-19H,3,7-11H2,1-2H3,(H,21,22)
InChIKeyBABNHPLBMRIQTB-UHFFFAOYSA-N
XLogP2.78
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43724368
N-[3-[(1-methylazepan-4-yl)amino]phenyl]propanamide
CID 65071494
(2S)-2-[4-(3-methylanilino)piperidin-1-yl]butanoic acid
CID 129401602
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 161146408
1-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79007602
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
1-[4-[3-[(dimethylamino)methyl]anilino]piperidin-1-yl]ethanone
CID 43782188
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
N-[2-methyl-5-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43735881
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid?
The IUPAC name of 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid (CID 175598356) is 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid.
What is the SMILES notation for 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid?
The canonical SMILES for 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid is CCC(Cc1cccc(NC2CCN(C)CC2)c1)NC(=O)O.
What is the InChIKey of 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid?
The InChIKey is BABNHPLBMRIQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-3-14(19-17(21)22)11-13-5-4-6-16(12-13)18-15-7-9-20(2)10-8-15/h4-6,12,14-15,18-19H,3,7-11H2,1-2H3,(H,21,22).
What are the key properties of 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid?
1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid has a molecular weight of 305.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylpiperidin-4-yl)amino]phenyl]butan-2-ylcarbamic acid is sourced from PubChem (CID 175598356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).