1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one

C16H30N2O2 — CID 91760608

IUPAC1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(NC(CC)C2CC(O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-5-16(20)18-8-6-13(7-9-18)17-15(4-2)12-10-14(19)11-12/h12-15,17,19H,3-11H2,1-2H3
InChIKeyWQNSZHXBHQPTLZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.92
Rot. Bonds6

About 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one

1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one (PubChem CID 91760608) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one
PubChem CID91760608
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(NC(CC)C2CC(O)C2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-5-16(20)18-8-6-13(7-9-18)17-15(4-2)12-10-14(19)11-12/h12-15,17,19H,3-11H2,1-2H3
InChIKeyWQNSZHXBHQPTLZ-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(3-hydroxycyclobutyl)-piperidin-4-ylmethyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 100058829
N-[(1R*)-1-(cis-3-hydroxycyclobutyl)propyl]-3-(1,2-oxazinan-2-yl)propanamide
CID 91764179
4,4,4-trifluoro-N-[(1R*)-1-(trans-3-hydroxycyclobutyl)propyl]butanamide
CID 91768221
trans-3-[(R*)-{[1-(cyclobutylcarbonyl)piperidin-4-yl]amino}(piperidin-4-yl)methyl]cyclobutanol
CID 91769973
3-fluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
CID 134505731
4,4,4-trifluoro-N-[(1R)-1-(3-hydroxycyclobutyl)propyl]butanamide
CID 100034309
4,4,4-trifluoro-N-[(1S)-1-(3-hydroxycyclobutyl)propyl]butanamide
CID 100034312
1-(1-acetylpiperidin-4-yl)-3-[(6R)-3,5-diethyl-6-hydroxyheptan-3-yl]urea
CID 70991633
N-(4-hydroxycyclohexyl)-1-methylpiperidine-4-carboxamide
CID 115277466
N-[(3-hydroxycyclobutyl)methyl]-2-methyl-4-[4-[(2-methylpropanoylamino)methyl]piperidin-1-yl]butanamide
CID 137430146
N-ethyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 145538861
1-acetyl-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389170

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one (CID 91760608) is 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCC(NC(CC)C2CC(O)C2)CC1.
What is the InChIKey of 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one?
The InChIKey is WQNSZHXBHQPTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-5-16(20)18-8-6-13(7-9-18)17-15(4-2)12-10-14(19)11-12/h12-15,17,19H,3-11H2,1-2H3.
What are the key properties of 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one?
1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one has a molecular weight of 282.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-hydroxycyclobutyl)propylamino]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 91760608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).