N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride

C18H33ClN2O2 — CID 119803504

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCOC1CC(NC(=O)CC(C)C2CCNCC2)C12CCC2.Cl
InChIInChI=1S/C18H32N2O2.ClH/c1-3-22-16-12-15(18(16)7-4-8-18)20-17(21)11-13(2)14-5-9-19-10-6-14;/h13-16,19H,3-12H2,1-2H3,(H,20,21);1H
InChIKeyCAVQNFUSHSMYBC-UHFFFAOYSA-N
MW344.93 g/mol
LogP2.90
Rot. Bonds6

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119803504) has the molecular formula C18H33ClN2O2 and a molecular weight of 344.93 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119803504
Molecular FormulaC18H33ClN2O2
Molecular Weight344.93 g/mol
Exact Mass344.22
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCCOC1CC(NC(=O)CC(C)C2CCNCC2)C12CCC2.Cl
InChIInChI=1S/C18H32N2O2.ClH/c1-3-22-16-12-15(18(16)7-4-8-18)20-17(21)11-13(2)14-5-9-19-10-6-14;/h13-16,19H,3-12H2,1-2H3,(H,20,21);1H
InChIKeyCAVQNFUSHSMYBC-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxy-2,2-diethylcyclobutyl)-3-piperidin-4-ylbutanamide
CID 119819735
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
N-(2,2-dimethylcyclopentyl)-3-piperidin-4-ylbutanamide
CID 119790559
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
3-piperidin-4-yl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119775867
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737
2-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylpentanamide;hydrochloride
CID 119803524
N-(2-ethylsulfanylcyclopentyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119818870
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119820386
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119803468

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119803504) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride is CCOC1CC(NC(=O)CC(C)C2CCNCC2)C12CCC2.Cl.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is CAVQNFUSHSMYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.ClH/c1-3-22-16-12-15(18(16)7-4-8-18)20-17(21)11-13(2)14-5-9-19-10-6-14;/h13-16,19H,3-12H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119803504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).