N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide

C17H27N3O — CID 61339628

IUPACN-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
SMILESCCNC(C)c1cccc(NC(=O)N2CCCCC2C)c1
InChIInChI=1S/C17H27N3O/c1-4-18-14(3)15-9-7-10-16(12-15)19-17(21)20-11-6-5-8-13(20)2/h7,9-10,12-14,18H,4-6,8,11H2,1-3H3,(H,19,21)
InChIKeyZCCJZASMTRXFMB-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.76
Rot. Bonds4

About N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide

N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide (PubChem CID 61339628) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
PubChem CID61339628
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide
SMILESCCNC(C)c1cccc(NC(=O)N2CCCCC2C)c1
InChIInChI=1S/C17H27N3O/c1-4-18-14(3)15-9-7-10-16(12-15)19-17(21)20-11-6-5-8-13(20)2/h7,9-10,12-14,18H,4-6,8,11H2,1-3H3,(H,19,21)
InChIKeyZCCJZASMTRXFMB-UHFFFAOYSA-N
XLogP3.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-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

2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61340887
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
3-cyclopentyl-N-[3-[1-(ethylamino)ethyl]phenyl]propanamide
CID 43507838
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340504
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenoxy]acetic acid
CID 61186973
(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 104968384
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1-methylpyrrolidin-3-yl)urea
CID 61465218
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide (CID 61339628) is N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide is CCNC(C)c1cccc(NC(=O)N2CCCCC2C)c1.
What is the InChIKey of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is ZCCJZASMTRXFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-14(3)15-9-7-10-16(12-15)19-17(21)20-11-6-5-8-13(20)2/h7,9-10,12-14,18H,4-6,8,11H2,1-3H3,(H,19,21).
What are the key properties of N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide?
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 61339628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).