N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide

C15H28N2O2 — CID 119782244

IUPACN-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC1(C)CCCO1)C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-12(13-4-7-16-8-5-13)10-14(18)17-11-15(2)6-3-9-19-15/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyHZSXOJJVYHLSPG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.70
Rot. Bonds5

About N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide

N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119782244) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
PubChem CID119782244
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC1(C)CCCO1)C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-12(13-4-7-16-8-5-13)10-14(18)17-11-15(2)6-3-9-19-15/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyHZSXOJJVYHLSPG-UHFFFAOYSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119782234
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride
CID 119682326
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119820386
2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
CID 116678448
N-(2,2-dimethylcyclopentyl)-3-piperidin-4-ylbutanamide
CID 119790559
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide
CID 119812192
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769962
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
2-(cyclopropylmethylamino)-N-[(2-methyloxolan-2-yl)methyl]acetamide;hydrochloride
CID 119782237
(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide (CID 119782244) is N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC1(C)CCCO1)C1CCNCC1.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is HZSXOJJVYHLSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(13-4-7-16-8-5-13)10-14(18)17-11-15(2)6-3-9-19-15/h12-13,16H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide?
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 268.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119782244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).