N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride

C18H32ClN5O3S — CID 119801200

IUPACN-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C18H31N5O3S.ClH/c1-14(15-4-3-7-19-11-15)10-18(24)21-16-5-8-23(9-6-16)27(25,26)17-12-20-22(2)13-17;/h12-16,19H,3-11H2,1-2H3,(H,21,24);1H
InChIKeyIVSYQUWXTAHSMC-UHFFFAOYSA-N
MW434.01 g/mol
LogP1.14
Rot. Bonds6

About N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119801200) has the molecular formula C18H32ClN5O3S and a molecular weight of 434.01 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119801200
Molecular FormulaC18H32ClN5O3S
Molecular Weight434.01 g/mol
Exact Mass433.19
IUPAC NameN-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C1CCCNC1.Cl
InChIInChI=1S/C18H31N5O3S.ClH/c1-14(15-4-3-7-19-11-15)10-18(24)21-16-5-8-23(9-6-16)27(25,26)17-12-20-22(2)13-17;/h12-16,19H,3-11H2,1-2H3,(H,21,24);1H
InChIKeyIVSYQUWXTAHSMC-UHFFFAOYSA-N
XLogP1.14
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119801204
N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-methyl-N-(1-methylpyrazol-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119893068
N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119886287
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
(2R)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 97215975
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700552
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
3-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 81044757

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119801200) is N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)C1CCCNC1.Cl.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is IVSYQUWXTAHSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3S.ClH/c1-14(15-4-3-7-19-11-15)10-18(24)21-16-5-8-23(9-6-16)27(25,26)17-12-20-22(2)13-17;/h12-16,19H,3-11H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 434.01 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119801200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).