1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one

C16H30N2O2 — CID 111469282

IUPAC1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCCC2O)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)15(20)18-9-7-13(8-10-18)17-11-12-5-4-6-14(12)19/h12-14,17,19H,4-11H2,1-3H3
InChIKeyAAKTUCNGYLQWIE-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.77
Rot. Bonds3

About 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 111469282) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID111469282
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(NCC2CCCC2O)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)15(20)18-9-7-13(8-10-18)17-11-12-5-4-6-14(12)19/h12-14,17,19H,4-11H2,1-3H3
InChIKeyAAKTUCNGYLQWIE-UHFFFAOYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-3-{(1R*)-1-[(1-butyrylpiperidin-4-yl)amino]propyl}cyclobutanol
CID 91760608
2-hydroxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 175959001
3-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylpropanamide
CID 62626984
1-[4-[(2-Hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 64927059
2-[[1-(1-Propylpiperidin-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65832544
2-[[(1-Methylpiperidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 65832568
4-N-[(2-hydroxycyclopentyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 65832782
1-(cyclopropanecarbonyl)-N-[(2-hydroxycyclopentyl)methyl]piperidine-3-carboxamide
CID 65832794
N-[3-[(2-hydroxycyclopentyl)methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 65833026
4-[(2-Hydroxycyclopentyl)methylamino]piperidine-1-carboxamide
CID 65833263
2-[[1-(1-Methylpiperidin-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65833600
N-[(2-hydroxycyclopentyl)methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 65833617

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 111469282) is 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(NCC2CCCC2O)CC1.
What is the InChIKey of 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is AAKTUCNGYLQWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)15(20)18-9-7-13(8-10-18)17-11-12-5-4-6-14(12)19/h12-14,17,19H,4-11H2,1-3H3.
What are the key properties of 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 282.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 111469282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).