N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride

C17H33Cl2N3O — CID 119840395

IUPACN-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1CCN(C2CC2)CC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-13(14-3-2-8-18-12-14)11-17(21)19-15-6-9-20(10-7-15)16-4-5-16;;/h13-16,18H,2-12H2,1H3,(H,19,21);2*1H
InChIKeyWONYMLYISQHWNY-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.60
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride

N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119840395) has the molecular formula C17H33Cl2N3O and a molecular weight of 366.38 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119840395
Molecular FormulaC17H33Cl2N3O
Molecular Weight366.38 g/mol
Exact Mass365.20
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1CCN(C2CC2)CC1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-13(14-3-2-8-18-12-14)11-17(21)19-15-6-9-20(10-7-15)16-4-5-16;;/h13-16,18H,2-12H2,1H3,(H,19,21);2*1H
InChIKeyWONYMLYISQHWNY-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119886287
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119900324
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119840395) is N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)NC1CCN(C2CC2)CC1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is WONYMLYISQHWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.2ClH/c1-13(14-3-2-8-18-12-14)11-17(21)19-15-6-9-20(10-7-15)16-4-5-16;;/h13-16,18H,2-12H2,1H3,(H,19,21);2*1H.
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 366.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119840395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).