N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide

C26H39N3O — CID 25450938

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide
SMILESCN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)C1=CCCC1
InChIInChI=1S/C26H39N3O/c1-27(2)14-7-15-29(26(30)22-8-3-4-9-22)20-21-12-16-28(17-13-21)25-18-23-10-5-6-11-24(23)19-25/h5-6,8,10-11,21,25H,3-4,7,9,12-20H2,1-2H3
InChIKeyXKMIDHBLSAFVAX-UHFFFAOYSA-N
MW409.62 g/mol
LogP3.76
Rot. Bonds8

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide (PubChem CID 25450938) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide
PubChem CID25450938
Molecular FormulaC26H39N3O
Molecular Weight409.62 g/mol
Exact Mass409.31
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide
SMILESCN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)C1=CCCC1
InChIInChI=1S/C26H39N3O/c1-27(2)14-7-15-29(26(30)22-8-3-4-9-22)20-21-12-16-28(17-13-21)25-18-23-10-5-6-11-24(23)19-25/h5-6,8,10-11,21,25H,3-4,7,9,12-20H2,1-2H3
InChIKeyXKMIDHBLSAFVAX-UHFFFAOYSA-N
XLogP3.76
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56710091
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-3-fluorobenzamide
CID 25453562
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]-2-pyrazol-1-ylacetamide
CID 26330980
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97280347
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-2-ethoxy-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97278262
2-acetamido-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 45240357
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45219116
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 26329204
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 42245792
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 45174104
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 45217413

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide (CID 25450938) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide is CN(C)CCCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)C1=CCCC1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide?
The InChIKey is XKMIDHBLSAFVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c1-27(2)14-7-15-29(26(30)22-8-3-4-9-22)20-21-12-16-28(17-13-21)25-18-23-10-5-6-11-24(23)19-25/h5-6,8,10-11,21,25H,3-4,7,9,12-20H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide has a molecular weight of 409.62 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[3-(dimethylamino)propyl]cyclopentene-1-carboxamide is sourced from PubChem (CID 25450938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).