3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide

C27H34N2O — CID 142855600

IUPAC3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide
SMILESCC1(C)C=C(C(=O)NCCN2CCC(CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C27H34N2O/c1-27(2)20-24(23-10-6-7-11-25(23)27)26(30)28-16-19-29-17-14-22(15-18-29)13-12-21-8-4-3-5-9-21/h3-11,20,22H,12-19H2,1-2H3,(H,28,30)
InChIKeyGSPKVPUBTRNQGO-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.82
Rot. Bonds7

About 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide

3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide (PubChem CID 142855600) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide
PubChem CID142855600
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide
SMILESCC1(C)C=C(C(=O)NCCN2CCC(CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C27H34N2O/c1-27(2)20-24(23-10-6-7-11-25(23)27)26(30)28-16-19-29-17-14-22(15-18-29)13-12-21-8-4-3-5-9-21/h3-11,20,22H,12-19H2,1-2H3,(H,28,30)
InChIKeyGSPKVPUBTRNQGO-UHFFFAOYSA-N
XLogP4.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-phenyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]acetamide
CID 142855670
1,4-bis(2-phenylethyl)piperidine
CID 86059939
2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide
CID 142855540
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
(E)-3-[hydroxy-[(Z)-2-[2-[4-(2-phenylethyl)piperidin-1-yl]ethylamino]ethenyl]amino]prop-2-enal
CID 142855550
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide
CID 170949211
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide
CID 86656628
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 122188780

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide (CID 142855600) is 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide is CC1(C)C=C(C(=O)NCCN2CCC(CCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide?
The InChIKey is GSPKVPUBTRNQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-27(2)20-24(23-10-6-7-11-25(23)27)26(30)28-16-19-29-17-14-22(15-18-29)13-12-21-8-4-3-5-9-21/h3-11,20,22H,12-19H2,1-2H3,(H,28,30).
What are the key properties of 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide?
3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]indene-1-carboxamide is sourced from PubChem (CID 142855600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).