2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide

C16H31N3O2 — CID 57319906

IUPAC2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C16H31N3O2/c1-12(16(17)21)19-9-3-2-4-14(19)11-18-10-13-5-7-15(20)8-6-13/h12-15,18,20H,2-11H2,1H3,(H2,17,21)
InChIKeyXHALJVVZIYFDRS-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.86
Rot. Bonds6

About 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide

2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide (PubChem CID 57319906) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide
PubChem CID57319906
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide
SMILESCC(C(N)=O)N1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C16H31N3O2/c1-12(16(17)21)19-9-3-2-4-14(19)11-18-10-13-5-7-15(20)8-6-13/h12-15,18,20H,2-11H2,1H3,(H2,17,21)
InChIKeyXHALJVVZIYFDRS-UHFFFAOYSA-N
XLogP0.86
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[(2S)-2-(2-oxopiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 164631481
2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106133035
2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 19845967
trans-2-[2-[[(4-hydroxy-cyclohexyl)methylamino]methyl]-piperidin-1-yl]-N-methyl-ethanamine
CID 19845977
2-[2-[[(4-Hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide
CID 19845997
4-[[[1-(2-Aminoethyl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 19846051
4-[[[1-(1-Aminopropan-2-yl)piperidin-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 57292486
(2S)-2-(4-hydroxycyclohexyl)-2-piperazin-1-ylacetamide
CID 66879332
2-(4-Hydroxycyclohexyl)-2-piperazin-1-ylacetamide
CID 66879333
1-[4-(Hydroxymethyl)cyclohexyl]piperazin-2-one
CID 67085501
9-Hydroxy-1,4-diazaspiro[5.5]undecan-2-one
CID 124021665
N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 140936829

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide?
The IUPAC name of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide (CID 57319906) is 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide?
The canonical SMILES for 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide is CC(C(N)=O)N1CCCCC1CNCC1CCC(O)CC1.
What is the InChIKey of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide?
The InChIKey is XHALJVVZIYFDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-12(16(17)21)19-9-3-2-4-14(19)11-18-10-13-5-7-15(20)8-6-13/h12-15,18,20H,2-11H2,1H3,(H2,17,21).
What are the key properties of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide?
2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide has a molecular weight of 297.44 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 57319906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).