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

C25H33N3O — CID 52539552

IUPACN-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN1CCC(N(C)C[C@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc2)CC1
InChIInChI=1S/C25H33N3O/c1-27-15-13-23(14-16-27)28(2)18-24(20-7-4-3-5-8-20)26-25(29)22-12-11-19-9-6-10-21(19)17-22/h3-5,7-8,11-12,17,23-24H,6,9-10,13-16,18H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyITTRPGTWKLSZPM-DEOSSOPVSA-N
MW391.56 g/mol
LogP3.67
Rot. Bonds6

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

N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 52539552) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID52539552
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN1CCC(N(C)C[C@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc2)CC1
InChIInChI=1S/C25H33N3O/c1-27-15-13-23(14-16-27)28(2)18-24(20-7-4-3-5-8-20)26-25(29)22-12-11-19-9-6-10-21(19)17-22/h3-5,7-8,11-12,17,23-24H,6,9-10,13-16,18H2,1-2H3,(H,26,29)/t24-/m0/s1
InChIKeyITTRPGTWKLSZPM-DEOSSOPVSA-N
XLogP3.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2-methylsulfanylpropanamide
CID 95274469
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51954274
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 39902838
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]urea
CID 124739786
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]urea
CID 47087770
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
1-[(1S)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 95593569
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
1-methyl-N-(1-phenyl-2-pyridin-2-ylethyl)-2,3-dihydroindole-5-carboxamide
CID 166227368
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552
N-[(2R)-4-phenylbutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704780

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 52539552) is N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide is CN1CCC(N(C)C[C@H](NC(=O)c2ccc3c(c2)CCC3)c2ccccc2)CC1.
What is the InChIKey of N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is ITTRPGTWKLSZPM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H33N3O/c1-27-15-13-23(14-16-27)28(2)18-24(20-7-4-3-5-8-20)26-25(29)22-12-11-19-9-6-10-21(19)17-22/h3-5,7-8,11-12,17,23-24H,6,9-10,13-16,18H2,1-2H3,(H,26,29)/t24-/m0/s1.
What are the key properties of N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 52539552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).