2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride

C20H32ClN3O3 — CID 119771793

IUPAC2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)NC1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-14(16-4-3-8-21-13-16)12-19(24)23-9-5-17(6-10-23)22-20(25)18-7-11-26-15(18)2;/h7,11,14,16-17,21H,3-6,8-10,12-13H2,1-2H3,(H,22,25);1H
InChIKeyJENZUXMTCZCMFC-UHFFFAOYSA-N
MW397.95 g/mol
LogP2.76
Rot. Bonds5

About 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride

2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride (PubChem CID 119771793) has the molecular formula C20H32ClN3O3 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
PubChem CID119771793
Molecular FormulaC20H32ClN3O3
Molecular Weight397.95 g/mol
Exact Mass397.21
IUPAC Name2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
SMILESCc1occc1C(=O)NC1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C20H31N3O3.ClH/c1-14(16-4-3-8-21-13-16)12-19(24)23-9-5-17(6-10-23)22-20(25)18-7-11-26-15(18)2;/h7,11,14,16-17,21H,3-6,8-10,12-13H2,1-2H3,(H,22,25);1H
InChIKeyJENZUXMTCZCMFC-UHFFFAOYSA-N
XLogP2.76
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride with MolForge

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Related Compounds

1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea
CID 119734445
1-[4-(3-methylanilino)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119892708
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700552
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119740240
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671893
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
N-[1-(3-piperidin-4-ylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119698231
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119671894
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119832584
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119724457
3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119740795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride?
The IUPAC name of 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride (CID 119771793) is 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride is Cc1occc1C(=O)NC1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl.
What is the InChIKey of 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride?
The InChIKey is JENZUXMTCZCMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3.ClH/c1-14(16-4-3-8-21-13-16)12-19(24)23-9-5-17(6-10-23)22-20(25)18-7-11-26-15(18)2;/h7,11,14,16-17,21H,3-6,8-10,12-13H2,1-2H3,(H,22,25);1H.
What are the key properties of 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride?
2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 119771793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).