N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide

C16H30N2O2 — CID 81044042

IUPACN-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCCCC1O)C1CCCNC1
InChIInChI=1S/C16H30N2O2/c1-12(13-6-4-8-17-10-13)9-16(20)18-11-14-5-2-3-7-15(14)19/h12-15,17,19H,2-11H2,1H3,(H,18,20)
InChIKeyHVTYROJVPMILFB-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.68
Rot. Bonds5

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

N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 81044042) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID81044042
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC1CCCCC1O)C1CCCNC1
InChIInChI=1S/C16H30N2O2/c1-12(13-6-4-8-17-10-13)9-16(20)18-11-14-5-2-3-7-15(14)19/h12-15,17,19H,2-11H2,1H3,(H,18,20)
InChIKeyHVTYROJVPMILFB-UHFFFAOYSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(hydroxymethyl)cyclohexyl]methyl]-3-piperidin-3-ylbutanamide
CID 81049792
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
CID 115738676
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119794620
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
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-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide (CID 81044042) is N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC1CCCCC1O)C1CCCNC1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is HVTYROJVPMILFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(13-6-4-8-17-10-13)9-16(20)18-11-14-5-2-3-7-15(14)19/h12-15,17,19H,2-11H2,1H3,(H,18,20).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide?
N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).