N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide

C17H27N3O — CID 43683732

IUPACN-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
SMILESCCN1CCC(Nc2ccc(NC(=O)C(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-4-20-11-9-16(10-12-20)18-14-5-7-15(8-6-14)19-17(21)13(2)3/h5-8,13,16,18H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyYVZIMLWMRZEARO-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.18
Rot. Bonds5

About N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide

N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide (PubChem CID 43683732) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
PubChem CID43683732
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
SMILESCCN1CCC(Nc2ccc(NC(=O)C(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-4-20-11-9-16(10-12-20)18-14-5-7-15(8-6-14)19-17(21)13(2)3/h5-8,13,16,18H,4,9-12H2,1-3H3,(H,19,21)
InChIKeyYVZIMLWMRZEARO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 75476798
2-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-N,N-dimethylacetamide
CID 43720741
2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
CID 65074416
1-ethyl-N-(4-iodophenyl)azepan-4-amine
CID 65073993
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide
CID 43683733
2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
CID 55200964
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
N-[4-[(1-ethylpiperidin-4-yl)amino]-2-methoxyphenyl]acetamide
CID 43672950
3-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-2-methyl-3-oxopropanoic acid
CID 138001729
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950
N-[4-[(2-ethylcyclopentyl)amino]phenyl]-2-methylpropanamide
CID 115917194

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide (CID 43683732) is N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide is CCN1CCC(Nc2ccc(NC(=O)C(C)C)cc2)CC1.
What is the InChIKey of N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide?
The InChIKey is YVZIMLWMRZEARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20-11-9-16(10-12-20)18-14-5-7-15(8-6-14)19-17(21)13(2)3/h5-8,13,16,18H,4,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide?
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 43683732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).