1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone

C17H21NO — CID 176578246

IUPAC1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cccc(C2CCCN(C(=O)C34CC3C4)C2)c1
InChIInChI=1S/C17H21NO/c1-12-4-2-5-13(8-12)14-6-3-7-18(11-14)16(19)17-9-15(17)10-17/h2,4-5,8,14-15H,3,6-7,9-11H2,1H3
InChIKeyHAXWIPSRJHPJPT-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.11
Rot. Bonds2

About 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone

1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone (PubChem CID 176578246) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
PubChem CID176578246
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cccc(C2CCCN(C(=O)C34CC3C4)C2)c1
InChIInChI=1S/C17H21NO/c1-12-4-2-5-13(8-12)14-6-3-7-18(11-14)16(19)17-9-15(17)10-17/h2,4-5,8,14-15H,3,6-7,9-11H2,1H3
InChIKeyHAXWIPSRJHPJPT-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
CID 99971911
2-methyl-6-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]pyran-4-one
CID 99994685
3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 118790711
3-(3-methylphenyl)pyrrolidine-1-carbothioamide
CID 134367760
(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide
CID 125177264
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70762769
1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70772514
[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 70767661
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
N-hydroxy-3-[6-[3-[3-(3-methylphenyl)piperidin-1-yl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 75067604

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone (CID 176578246) is 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone is Cc1cccc(C2CCCN(C(=O)C34CC3C4)C2)c1.
What is the InChIKey of 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is HAXWIPSRJHPJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-4-2-5-13(8-12)14-6-3-7-18(11-14)16(19)17-9-15(17)10-17/h2,4-5,8,14-15H,3,6-7,9-11H2,1H3.
What are the key properties of 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone?
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 255.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 176578246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).