N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C27H27N3O3 — CID 75861710

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCCN(C(=O)c4cccc5ccccc45)C3)ccc21
InChIInChI=1S/C27H27N3O3/c1-18(31)30-15-13-20-16-22(11-12-25(20)30)28-26(32)21-8-5-14-29(17-21)27(33)24-10-4-7-19-6-2-3-9-23(19)24/h2-4,6-7,9-12,16,21H,5,8,13-15,17H2,1H3,(H,28,32)
InChIKeyRWABPHQTLJNKJO-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.24
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 75861710) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID75861710
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CCCN(C(=O)c4cccc5ccccc45)C3)ccc21
InChIInChI=1S/C27H27N3O3/c1-18(31)30-15-13-20-16-22(11-12-25(20)30)28-26(32)21-8-5-14-29(17-21)27(33)24-10-4-7-19-6-2-3-9-23(19)24/h2-4,6-7,9-12,16,21H,5,8,13-15,17H2,1H3,(H,28,32)
InChIKeyRWABPHQTLJNKJO-UHFFFAOYSA-N
XLogP4.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55429914
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55956395
(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide
CID 95351102
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55884883
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43015826
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
(3S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 52639571
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 75861710) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CC(=O)N1CCc2cc(NC(=O)C3CCCN(C(=O)c4cccc5ccccc45)C3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is RWABPHQTLJNKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-18(31)30-15-13-20-16-22(11-12-25(20)30)28-26(32)21-8-5-14-29(17-21)27(33)24-10-4-7-19-6-2-3-9-23(19)24/h2-4,6-7,9-12,16,21H,5,8,13-15,17H2,1H3,(H,28,32).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 75861710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).