(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide

C23H26ClN3O2 — CID 66798745

IUPAC(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCNCC1
InChIInChI=1S/C23H26ClN3O2/c1-27(17-10-12-25-13-11-17)23(29)16-7-6-15-8-9-21(19(15)14-16)26-22(28)18-4-2-3-5-20(18)24/h2-7,14,17,21,25H,8-13H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeySKXMPVGQHFRROO-OAQYLSRUSA-N
MW411.93 g/mol
LogP3.58
Rot. Bonds4

About (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide

(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66798745) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66798745
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCNCC1
InChIInChI=1S/C23H26ClN3O2/c1-27(17-10-12-25-13-11-17)23(29)16-7-6-15-8-9-21(19(15)14-16)26-22(28)18-4-2-3-5-20(18)24/h2-7,14,17,21,25H,8-13H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeySKXMPVGQHFRROO-OAQYLSRUSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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Related Compounds

(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798635
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
N-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-3-[(2-chlorobenzoyl)amino]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 77192197
3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 77192181
(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(2-cyclopentylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66805474
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 66798383
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylic acid;methyl 5-[(2-chlorobenzoyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulene-3-carboxylate
CID 162002147
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
3-[(2-chloro-6-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505698

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide (CID 66798745) is (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1Cl)CC2)C1CCNCC1.
What is the InChIKey of (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is SKXMPVGQHFRROO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-27(17-10-12-25-13-11-17)23(29)16-7-6-15-8-9-21(19(15)14-16)26-22(28)18-4-2-3-5-20(18)24/h2-7,14,17,21,25H,8-13H2,1H3,(H,26,28)/t21-/m1/s1.
What are the key properties of (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 411.93 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-piperidin-4-yl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66798745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).