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

C15H29ClN2O2 — CID 119782234

IUPACN-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1(C)CCCO1)C1CCCNC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-12(13-5-3-7-16-10-13)9-14(18)17-11-15(2)6-4-8-19-15;/h12-13,16H,3-11H2,1-2H3,(H,17,18);1H
InChIKeyPIWVMKFZIJBNJB-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.12
Rot. Bonds5

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

N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119782234) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119782234
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1(C)CCCO1)C1CCCNC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-12(13-5-3-7-16-10-13)9-14(18)17-11-15(2)6-4-8-19-15;/h12-13,16H,3-11H2,1-2H3,(H,17,18);1H
InChIKeyPIWVMKFZIJBNJB-UHFFFAOYSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119782244
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045958
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119788862
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119830098
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961
(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134846
2-(azetidin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide
CID 116678448
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769948
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-piperidin-3-ylbutanamide
CID 119812115
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide
CID 119761175

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119782234) is N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCC1(C)CCCO1)C1CCCNC1.Cl.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is PIWVMKFZIJBNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-12(13-5-3-7-16-10-13)9-14(18)17-11-15(2)6-4-8-19-15;/h12-13,16H,3-11H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.12, 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-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119782234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).