N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

C23H28FN3O — CID 24732524

IUPACN-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N(CC1CC1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H28FN3O/c24-21-5-3-18(4-6-21)15-23(28)27(17-19-1-2-19)22-9-13-26(14-10-22)16-20-7-11-25-12-8-20/h3-8,11-12,19,22H,1-2,9-10,13-17H2
InChIKeyCONAOOITWLRECF-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.67
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 24732524) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
PubChem CID24732524
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC NameN-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N(CC1CC1)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C23H28FN3O/c24-21-5-3-18(4-6-21)15-23(28)27(17-19-1-2-19)22-9-13-26(14-10-22)16-20-7-11-25-12-8-20/h3-8,11-12,19,22H,1-2,9-10,13-17H2
InChIKeyCONAOOITWLRECF-UHFFFAOYSA-N
XLogP3.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (CID 24732524) is N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is O=C(Cc1ccc(F)cc1)N(CC1CC1)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is CONAOOITWLRECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c24-21-5-3-18(4-6-21)15-23(28)27(17-19-1-2-19)22-9-13-26(14-10-22)16-20-7-11-25-12-8-20/h3-8,11-12,19,22H,1-2,9-10,13-17H2.
What are the key properties of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 24732524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).