N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

C18H28N2O2 — CID 111113847

IUPACN-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(C(C)O)CC2)cc1C
InChIInChI=1S/C18H28N2O2/c1-12-5-6-17(11-13(12)2)19-18(22)14(3)20-9-7-16(8-10-20)15(4)21/h5-6,11,14-16,21H,7-10H2,1-4H3,(H,19,22)
InChIKeyNMOVKNOZTIZFGD-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.72
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide

N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (PubChem CID 111113847) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
PubChem CID111113847
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCC(C(C)O)CC2)cc1C
InChIInChI=1S/C18H28N2O2/c1-12-5-6-17(11-13(12)2)19-18(22)14(3)20-9-7-16(8-10-20)15(4)21/h5-6,11,14-16,21H,7-10H2,1-4H3,(H,19,22)
InChIKeyNMOVKNOZTIZFGD-UHFFFAOYSA-N
XLogP2.72
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114110
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 111114019
N-(3-chloro-4-cyanophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114068
N-[4-(difluoromethoxy)phenyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114132
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 110020032
1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443641
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide
CID 40796758
2-(2,2-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)propanamide
CID 86980480
N-(4-cyanophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 115965231
ethyl N-[1-[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 52505479

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide (CID 111113847) is N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)N2CCC(C(C)O)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The InChIKey is NMOVKNOZTIZFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-5-6-17(11-13(12)2)19-18(22)14(3)20-9-7-16(8-10-20)15(4)21/h5-6,11,14-16,21H,7-10H2,1-4H3,(H,19,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide?
N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 111113847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).