N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide

C23H27N3O2 — CID 131922894

IUPACN-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(CN1CCCCC1)Nc1ccc(NC(=O)C2CCc3ccccc32)cc1
InChIInChI=1S/C23H27N3O2/c27-22(16-26-14-4-1-5-15-26)24-18-9-11-19(12-10-18)25-23(28)21-13-8-17-6-2-3-7-20(17)21/h2-3,6-7,9-12,21H,1,4-5,8,13-16H2,(H,24,27)(H,25,28)
InChIKeyKMUBGWBHUAFPGM-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.78
Rot. Bonds5

About N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide

N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 131922894) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID131922894
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
SMILESO=C(CN1CCCCC1)Nc1ccc(NC(=O)C2CCc3ccccc32)cc1
InChIInChI=1S/C23H27N3O2/c27-22(16-26-14-4-1-5-15-26)24-18-9-11-19(12-10-18)25-23(28)21-13-8-17-6-2-3-7-20(17)21/h2-3,6-7,9-12,21H,1,4-5,8,13-16H2,(H,24,27)(H,25,28)
InChIKeyKMUBGWBHUAFPGM-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2,3-dihydro-1H-indene-1-carboxamide
CID 99949518
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55364748
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 154915036
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
CID 119946943
N-[4-(piperidin-1-ylmethyl)phenyl]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 46976904
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide (CID 131922894) is N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide is O=C(CN1CCCCC1)Nc1ccc(NC(=O)C2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is KMUBGWBHUAFPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(16-26-14-4-1-5-15-26)24-18-9-11-19(12-10-18)25-23(28)21-13-8-17-6-2-3-7-20(17)21/h2-3,6-7,9-12,21H,1,4-5,8,13-16H2,(H,24,27)(H,25,28).
What are the key properties of N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide?
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 131922894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).