N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide

C18H25N3O2 — CID 119282363

IUPACN-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCC2)c1)C1CCCNC1
InChIInChI=1S/C18H25N3O2/c22-17(15-7-3-9-19-12-15)20-11-13-4-1-8-16(10-13)21-18(23)14-5-2-6-14/h1,4,8,10,14-15,19H,2-3,5-7,9,11-12H2,(H,20,22)(H,21,23)
InChIKeyLGCBBBLXHLJAJO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.04
Rot. Bonds5

About N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide

N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119282363) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119282363
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(NC(=O)C2CCC2)c1)C1CCCNC1
InChIInChI=1S/C18H25N3O2/c22-17(15-7-3-9-19-12-15)20-11-13-4-1-8-16(10-13)21-18(23)14-5-2-6-14/h1,4,8,10,14-15,19H,2-3,5-7,9,11-12H2,(H,20,22)(H,21,23)
InChIKeyLGCBBBLXHLJAJO-UHFFFAOYSA-N
XLogP2.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide 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

N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299320
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
CID 119320769
N-[3-[(pyrrolidine-3-carbonylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119861037

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide (CID 119282363) is N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccc(NC(=O)C2CCC2)c1)C1CCCNC1.
What is the InChIKey of N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is LGCBBBLXHLJAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(15-7-3-9-19-12-15)20-11-13-4-1-8-16(10-13)21-18(23)14-5-2-6-14/h1,4,8,10,14-15,19H,2-3,5-7,9,11-12H2,(H,20,22)(H,21,23).
What are the key properties of N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide?
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119282363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).