(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide

C17H27N3O — CID 103813229

IUPAC(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
SMILESCCN(c1ccc(NC(=O)[C@@H]2CCCCN2)cc1)C(C)C
InChIInChI=1S/C17H27N3O/c1-4-20(13(2)3)15-10-8-14(9-11-15)19-17(21)16-7-5-6-12-18-16/h8-11,13,16,18H,4-7,12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyFCCWYRYRYPKAPY-INIZCTEOSA-N
MW289.42 g/mol
LogP3.00
Rot. Bonds5

About (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide

(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide (PubChem CID 103813229) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
PubChem CID103813229
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
SMILESCCN(c1ccc(NC(=O)[C@@H]2CCCCN2)cc1)C(C)C
InChIInChI=1S/C17H27N3O/c1-4-20(13(2)3)15-10-8-14(9-11-15)19-17(21)16-7-5-6-12-18-16/h8-11,13,16,18H,4-7,12H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyFCCWYRYRYPKAPY-INIZCTEOSA-N
XLogP3.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide
CID 119703600
N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
CID 119279232
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703628
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
(2S)-N-[4-(ethylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103808975
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide (CID 103813229) is (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide is CCN(c1ccc(NC(=O)[C@@H]2CCCCN2)cc1)C(C)C.
What is the InChIKey of (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide?
The InChIKey is FCCWYRYRYPKAPY-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(13(2)3)15-10-8-14(9-11-15)19-17(21)16-7-5-6-12-18-16/h8-11,13,16,18H,4-7,12H2,1-3H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide?
(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 103813229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).