N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide

C23H31N3O — CID 20504973

IUPACN-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide
SMILESCc1ccccc1NC(CCNC(=O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-19-10-6-7-13-21(19)25-22(20-11-4-2-5-12-20)14-15-24-23(27)18-26-16-8-3-9-17-26/h2,4-7,10-13,22,25H,3,8-9,14-18H2,1H3,(H,24,27)
InChIKeyIKURANASYLWAFQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.14
Rot. Bonds8

About N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide

N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide (PubChem CID 20504973) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide
PubChem CID20504973
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide
SMILESCc1ccccc1NC(CCNC(=O)CN1CCCCC1)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-19-10-6-7-13-21(19)25-22(20-11-4-2-5-12-20)14-15-24-23(27)18-26-16-8-3-9-17-26/h2,4-7,10-13,22,25H,3,8-9,14-18H2,1H3,(H,24,27)
InChIKeyIKURANASYLWAFQ-UHFFFAOYSA-N
XLogP4.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide (CID 20504973) is N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide is Cc1ccccc1NC(CCNC(=O)CN1CCCCC1)c1ccccc1.
What is the InChIKey of N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide?
The InChIKey is IKURANASYLWAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19-10-6-7-13-21(19)25-22(20-11-4-2-5-12-20)14-15-24-23(27)18-26-16-8-3-9-17-26/h2,4-7,10-13,22,25H,3,8-9,14-18H2,1H3,(H,24,27).
What are the key properties of N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide?
N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide has a molecular weight of 365.52 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylanilino)-3-phenylpropyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 20504973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).