N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide

C18H29N3O — CID 5154545

IUPACN-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(N(C)C(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-5-15-6-8-16(9-7-15)19-18(22)21-12-10-17(11-13-21)20(4)14(2)3/h6-9,14,17H,5,10-13H2,1-4H3,(H,19,22)
InChIKeySZTMGJLRABKLFA-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.59
Rot. Bonds4

About N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide

N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide (PubChem CID 5154545) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
PubChem CID5154545
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(N(C)C(C)C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-5-15-6-8-16(9-7-15)19-18(22)21-12-10-17(11-13-21)20(4)14(2)3/h6-9,14,17H,5,10-13H2,1-4H3,(H,19,22)
InChIKeySZTMGJLRABKLFA-UHFFFAOYSA-N
XLogP3.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
N-(4-ethylphenyl)-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 47032203
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
4-(propan-2-ylsulfonylamino)-N-(4-propylphenyl)piperidine-1-carboxamide
CID 20628957
N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
CID 163339504
4-[(4-ethylphenyl)carbamoyl-(3-methylbutyl)amino]piperidine-1-carboxylic acid
CID 4095855
N-(4-ethylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845437
N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331982
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507216
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide (CID 5154545) is N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC(N(C)C(C)C)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
The InChIKey is SZTMGJLRABKLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-5-15-6-8-16(9-7-15)19-18(22)21-12-10-17(11-13-21)20(4)14(2)3/h6-9,14,17H,5,10-13H2,1-4H3,(H,19,22).
What are the key properties of N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide?
N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 5154545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).