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

C14H21N3O — CID 155194711

IUPAC(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCC1
InChIInChI=1S/C14H21N3O/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)
InChIKeyZRDHEIKJGGLCGL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.31
Rot. Bonds2

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

(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 155194711) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID155194711
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCC1
InChIInChI=1S/C14H21N3O/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)
InChIKeyZRDHEIKJGGLCGL-UHFFFAOYSA-N
XLogP2.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
1-(cyclobutylcarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 72851681
4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
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
N-cyclohexyl-N-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)propanamide
CID 132425753
4,4-difluoro-1-[4-(1H-pyrazol-4-yl)butanoyl]piperidine
CID 74244963
1-[4-(1H-pyrazol-4-yl)butanoyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 124215608
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

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone (CID 155194711) is (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone is CC1(C(=O)N2CCC(c3cn[nH]c3)CC2)CCC1.
What is the InChIKey of (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is ZRDHEIKJGGLCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/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).
What are the key properties of (1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone?
(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.31, 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 is sourced from PubChem (CID 155194711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).