N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide

C17H32N2O2 — CID 81049792

IUPACN-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCCCC1CO)C1CCCNC1
InChIInChI=1S/C17H32N2O2/c1-13(14-7-4-8-18-10-14)9-17(21)19-11-15-5-2-3-6-16(15)12-20/h13-16,18,20H,2-12H2,1H3,(H,19,21)
InChIKeyWNAJCGHRGIHXKY-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.93
Rot. Bonds6

About N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide

N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide (PubChem CID 81049792) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
PubChem CID81049792
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCCCC1CO)C1CCCNC1
InChIInChI=1S/C17H32N2O2/c1-13(14-7-4-8-18-10-14)9-17(21)19-11-15-5-2-3-6-16(15)12-20/h13-16,18,20H,2-12H2,1H3,(H,19,21)
InChIKeyWNAJCGHRGIHXKY-UHFFFAOYSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
CID 81044042
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81044187
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
CID 115738676
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide (CID 81049792) is N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC1CCCCC1CO)C1CCCNC1.
What is the InChIKey of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is WNAJCGHRGIHXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(14-7-4-8-18-10-14)9-17(21)19-11-15-5-2-3-6-16(15)12-20/h13-16,18,20H,2-12H2,1H3,(H,19,21).
What are the key properties of N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide?
N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 296.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81049792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).