3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide

C18H28N2O2 — CID 111118185

IUPAC3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
SMILESCc1ccccc1C(NC(=O)N1CCCC(CO)C1)C(C)C
InChIInChI=1S/C18H28N2O2/c1-13(2)17(16-9-5-4-7-14(16)3)19-18(22)20-10-6-8-15(11-20)12-21/h4-5,7,9,13,15,17,21H,6,8,10-12H2,1-3H3,(H,19,22)
InChIKeyKRUQHQFHGMWLBY-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.11
Rot. Bonds4

About 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide

3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide (PubChem CID 111118185) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
PubChem CID111118185
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide
SMILESCc1ccccc1C(NC(=O)N1CCCC(CO)C1)C(C)C
InChIInChI=1S/C18H28N2O2/c1-13(2)17(16-9-5-4-7-14(16)3)19-18(22)20-10-6-8-15(11-20)12-21/h4-5,7,9,13,15,17,21H,6,8,10-12H2,1-3H3,(H,19,22)
InChIKeyKRUQHQFHGMWLBY-UHFFFAOYSA-N
XLogP3.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-methyl-1-(2-methylphenyl)propyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122001887
3-(hydroxymethyl)-N-(3-methylbutan-2-yl)piperidine-1-carboxamide
CID 110882593
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide
CID 110922342
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
3-(hydroxymethyl)-N-[(4-methylphenyl)-phenylmethyl]piperidine-1-carboxamide
CID 110882604
(2R)-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 79010038
(3R)-3-(2-amino-2-oxoethyl)-N-[(S)-cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 97007462
3-(2-amino-2-oxoethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 71865685
3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
CID 111443553
(3S)-3-(hydroxymethyl)-N-[(1R)-1-(2-pyrazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 97089146
N-(4-cyclohexylbutan-2-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111414506

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide (CID 111118185) is 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide is Cc1ccccc1C(NC(=O)N1CCCC(CO)C1)C(C)C.
What is the InChIKey of 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide?
The InChIKey is KRUQHQFHGMWLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)17(16-9-5-4-7-14(16)3)19-18(22)20-10-6-8-15(11-20)12-21/h4-5,7,9,13,15,17,21H,6,8,10-12H2,1-3H3,(H,19,22).
What are the key properties of 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 111118185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).