N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide

C16H23ClN2O2 — CID 110880139

IUPACN-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCCC(CO)C1
InChIInChI=1S/C16H23ClN2O2/c1-11-14(17)6-3-7-15(11)18-16(21)12(2)19-8-4-5-13(9-19)10-20/h3,6-7,12-13,20H,4-5,8-10H2,1-2H3,(H,18,21)
InChIKeyYWBNRTFCFVFMQR-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.68
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide

N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 110880139) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID110880139
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)N1CCCC(CO)C1
InChIInChI=1S/C16H23ClN2O2/c1-11-14(17)6-3-7-15(11)18-16(21)12(2)19-8-4-5-13(9-19)10-20/h3,6-7,12-13,20H,4-5,8-10H2,1-2H3,(H,18,21)
InChIKeyYWBNRTFCFVFMQR-UHFFFAOYSA-N
XLogP2.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101242
(2S)-N-(3-chloro-2-methylphenyl)-2-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
CID 100855978
N-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880134
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46630775
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880153
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
(2R)-N-(3-chloro-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430806
(3S)-N-(cyclopropylmethyl)-1-[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 94459780
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590166
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide (CID 110880139) is N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide is Cc1c(Cl)cccc1NC(=O)C(C)N1CCCC(CO)C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is YWBNRTFCFVFMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11-14(17)6-3-7-15(11)18-16(21)12(2)19-8-4-5-13(9-19)10-20/h3,6-7,12-13,20H,4-5,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 310.82 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 110880139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).