(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride

C14H22ClN3O — CID 155194710

IUPAC(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCC1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-14(5-2-6-14)13(18)17-7-3-11(4-8-17)12-9-15-16-10-12;/h9-11H,2-8H2,1H3,(H,15,16);1H
InChIKeyFKCUKYQQHDTNEH-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.73
Rot. Bonds2

About (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride

(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 155194710) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride
PubChem CID155194710
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride
SMILESCC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCC1.Cl
InChIInChI=1S/C14H21N3O.ClH/c1-14(5-2-6-14)13(18)17-7-3-11(4-8-17)12-9-15-16-10-12;/h9-11H,2-8H2,1H3,(H,15,16);1H
InChIKeyFKCUKYQQHDTNEH-UHFFFAOYSA-N
XLogP2.73
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylcarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72851681
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 25381889
N-[(1-Propylcyclobutyl)methyl]-3-(1H-pyrazol-4-YL)propanamide
CID 122562960
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
1-[(4S)-4-tert-butylazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 125525311
4,4-difluoro-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine
CID 74244963
1-[3-(1H-pyrazol-4-yl)propanoyl]-4-(trifluoromethyl)piperidine
CID 131904704
7-(Cyclobutylmethyl)-2-[3-(1H-pyrazol-4-YL)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45205270
1-ethyl-3-methyl-4-[4-(1H-pyrazol-4-yl)butanoyl]piperazin-2-one
CID 56750732
(4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone
CID 71869022
(Z)-2-ethyl-2,4,4,7,9,9-hexamethyl-N-[3-(1H-pyrazol-4-yl)propyl]dec-5-enamide
CID 70910318
tert-butyl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 83404840

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride (CID 155194710) is (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride is CC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCC1.Cl.
What is the InChIKey of (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is FKCUKYQQHDTNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.ClH/c1-14(5-2-6-14)13(18)17-7-3-11(4-8-17)12-9-15-16-10-12;/h9-11H,2-8H2,1H3,(H,15,16);1H.
What are the key properties of (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride?
(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 155194710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).