2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide

C18H34N2O3 — CID 111422434

IUPAC2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide
SMILESCCC(OC1CCCC1)C(=O)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C18H34N2O3/c1-3-17(23-16-6-4-5-7-16)18(22)19-12-15(21)13-20-10-8-14(2)9-11-20/h14-17,21H,3-13H2,1-2H3,(H,19,22)
InChIKeyNOEHKDWYYWHENX-UHFFFAOYSA-N
MW326.48 g/mol
LogP1.93
Rot. Bonds8

About 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide

2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide (PubChem CID 111422434) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide
PubChem CID111422434
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide
SMILESCCC(OC1CCCC1)C(=O)NCC(O)CN1CCC(C)CC1
InChIInChI=1S/C18H34N2O3/c1-3-17(23-16-6-4-5-7-16)18(22)19-12-15(21)13-20-10-8-14(2)9-11-20/h14-17,21H,3-13H2,1-2H3,(H,19,22)
InChIKeyNOEHKDWYYWHENX-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(3-methylpentan-2-yl)urea
CID 111111407
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362
1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 95617929
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020943
2-cyclobutyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111427408
2-cyclohexyloxy-N-piperidin-1-ylbutanamide
CID 102560917
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]ethanesulfonamide
CID 111439988
1-cyclohexyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 44782571
5-(2-cyclopentyloxybutanoylamino)pentanoic acid
CID 119234716

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide?
The IUPAC name of 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide (CID 111422434) is 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide.
What is the SMILES notation for 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide?
The canonical SMILES for 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide is CCC(OC1CCCC1)C(=O)NCC(O)CN1CCC(C)CC1.
What is the InChIKey of 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide?
The InChIKey is NOEHKDWYYWHENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-3-17(23-16-6-4-5-7-16)18(22)19-12-15(21)13-20-10-8-14(2)9-11-20/h14-17,21H,3-13H2,1-2H3,(H,19,22).
What are the key properties of 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide?
2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide has a molecular weight of 326.48 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 111422434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).