N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride

C19H30ClN3O3 — CID 119700552

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCN(C(=O)c2ccco2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(15-4-2-8-20-13-15)12-18(23)21-16-6-9-22(10-7-16)19(24)17-5-3-11-25-17;/h3,5,11,14-16,20H,2,4,6-10,12-13H2,1H3,(H,21,23);1H
InChIKeyGLNWGVGNDVSRDQ-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119700552) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119700552
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCN(C(=O)c2ccco2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(15-4-2-8-20-13-15)12-18(23)21-16-6-9-22(10-7-16)19(24)17-5-3-11-25-17;/h3,5,11,14-16,20H,2,4,6-10,12-13H2,1H3,(H,21,23);1H
InChIKeyGLNWGVGNDVSRDQ-UHFFFAOYSA-N
XLogP2.45
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119700558
N-[1-(2-phenylbutanoyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide
CID 119763648
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367
2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 119771793
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119886287
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671893

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119700552) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NC1CCN(C(=O)c2ccco2)CC1)C1CCCNC1.Cl.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is GLNWGVGNDVSRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-14(15-4-2-8-20-13-15)12-18(23)21-16-6-9-22(10-7-16)19(24)17-5-3-11-25-17;/h3,5,11,14-16,20H,2,4,6-10,12-13H2,1H3,(H,21,23);1H.
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119700552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).