7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide

C30H32N2O — CID 10765394

IUPAC7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CCN2CCCCC2)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1
InChIInChI=1S/C30H32N2O/c33-30(31-29-15-9-23(10-16-29)17-20-32-18-5-2-6-19-32)27-14-12-25-11-13-26(21-28(25)22-27)24-7-3-1-4-8-24/h1,3-4,7-11,13,15-16,21-22H,2,5-6,12,14,17-20H2,(H,31,33)
InChIKeyUUKXWDVPMGQQHU-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.35
Rot. Bonds6

About 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide

7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide (PubChem CID 10765394) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
PubChem CID10765394
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CCN2CCCCC2)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1
InChIInChI=1S/C30H32N2O/c33-30(31-29-15-9-23(10-16-29)17-20-32-18-5-2-6-19-32)27-14-12-25-11-13-26(21-28(25)22-27)24-7-3-1-4-8-24/h1,3-4,7-11,13,15-16,21-22H,2,5-6,12,14,17-20H2,(H,31,33)
InChIKeyUUKXWDVPMGQQHU-UHFFFAOYSA-N
XLogP6.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide?
The IUPAC name of 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide (CID 10765394) is 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide?
The canonical SMILES for 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide is O=C(Nc1ccc(CCN2CCCCC2)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1.
What is the InChIKey of 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide?
The InChIKey is UUKXWDVPMGQQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c33-30(31-29-15-9-23(10-16-29)17-20-32-18-5-2-6-19-32)27-14-12-25-11-13-26(21-28(25)22-27)24-7-3-1-4-8-24/h1,3-4,7-11,13,15-16,21-22H,2,5-6,12,14,17-20H2,(H,31,33).
What are the key properties of 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide?
7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 10765394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).