N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride

C18H30ClN5O2 — CID 120929389

IUPACN-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.Cl
InChIInChI=1S/C18H29N5O2.ClH/c1-2-5-16(24)21-15-6-3-12-22(14-15)17(25)18(7-10-19-11-8-18)23-13-4-9-20-23;/h4,9,13,15,19H,2-3,5-8,10-12,14H2,1H3,(H,21,24);1H
InChIKeyNPSWAGSYYSNMCK-UHFFFAOYSA-N
MW383.92 g/mol
LogP1.29
Rot. Bonds5

About N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride

N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride (PubChem CID 120929389) has the molecular formula C18H30ClN5O2 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
PubChem CID120929389
Molecular FormulaC18H30ClN5O2
Molecular Weight383.92 g/mol
Exact Mass383.21
IUPAC NameN-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
SMILESCCCC(=O)NC1CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.Cl
InChIInChI=1S/C18H29N5O2.ClH/c1-2-5-16(24)21-15-6-3-12-22(14-15)17(25)18(7-10-19-11-8-18)23-13-4-9-20-23;/h4,9,13,15,19H,2-3,5-8,10-12,14H2,1H3,(H,21,24);1H
InChIKeyNPSWAGSYYSNMCK-UHFFFAOYSA-N
XLogP1.29
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride?
The IUPAC name of N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride (CID 120929389) is N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride.
What is the SMILES notation for N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride?
The canonical SMILES for N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride is CCCC(=O)NC1CCCN(C(=O)C2(n3cccn3)CCNCC2)C1.Cl.
What is the InChIKey of N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride?
The InChIKey is NPSWAGSYYSNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2.ClH/c1-2-5-16(24)21-15-6-3-12-22(14-15)17(25)18(7-10-19-11-8-18)23-13-4-9-20-23;/h4,9,13,15,19H,2-3,5-8,10-12,14H2,1H3,(H,21,24);1H.
What are the key properties of N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride?
N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 120929389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).