N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide

C21H30N2O — CID 70858249

IUPACN-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(C2CC2)C2CCN(CC3CCC3)CC2)cc1
InChIInChI=1S/C21H30N2O/c1-16-5-7-18(8-6-16)21(24)23(19-9-10-19)20-11-13-22(14-12-20)15-17-3-2-4-17/h5-8,17,19-20H,2-4,9-15H2,1H3
InChIKeyKHDCBJHKQMUNTE-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.86
Rot. Bonds5

About N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide

N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 70858249) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID70858249
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)N(C2CC2)C2CCN(CC3CCC3)CC2)cc1
InChIInChI=1S/C21H30N2O/c1-16-5-7-18(8-6-16)21(24)23(19-9-10-19)20-11-13-22(14-12-20)15-17-3-2-4-17/h5-8,17,19-20H,2-4,9-15H2,1H3
InChIKeyKHDCBJHKQMUNTE-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 70858249) is N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)N(C2CC2)C2CCN(CC3CCC3)CC2)cc1.
What is the InChIKey of N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is KHDCBJHKQMUNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-16-5-7-18(8-6-16)21(24)23(19-9-10-19)20-11-13-22(14-12-20)15-17-3-2-4-17/h5-8,17,19-20H,2-4,9-15H2,1H3.
What are the key properties of N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide?
N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 326.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutylmethyl)piperidin-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 70858249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).