N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide

C30H37N3O — CID 122581957

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
SMILESCN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C30H37N3O/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3
InChIKeyOFDHKZMZEXORRX-UHFFFAOYSA-N
MW455.65 g/mol
LogP4.72
Rot. Bonds7

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide (PubChem CID 122581957) has the molecular formula C30H37N3O and a molecular weight of 455.65 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
PubChem CID122581957
Molecular FormulaC30H37N3O
Molecular Weight455.65 g/mol
Exact Mass455.29
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
SMILESCN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C30H37N3O/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3
InChIKeyOFDHKZMZEXORRX-UHFFFAOYSA-N
XLogP4.72
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.65
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 36131
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
Azonafide
CID 9948896
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N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
[4-(9H-fluoren-9-yl)piperazin-1-yl]-phenyl-methanone
CID 8366407
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940
N-{[(3r)-1-(2,3-Dihydro-1h-Inden-2-Yl)piperidin-3-Yl]methyl}-N-(2-Methoxyethyl)naphthalene-2-Carboxamide
CID 25396473
N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
(4-(9H-Fluoren-9-yl)piperazin-1-yl)(p-tolyl)methanone
CID 9003925

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide (CID 122581957) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide is CN(C)CCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
The InChIKey is OFDHKZMZEXORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O/c1-31(2)16-17-33(30(34)28-14-13-24-9-3-4-10-25(24)18-28)22-23-8-7-15-32(21-23)29-19-26-11-5-6-12-27(26)20-29/h3-6,9-14,18,23,29H,7-8,15-17,19-22H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide has a molecular weight of 455.65 g/mol, XLogP of 4.72, 7 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-3-yl]methyl]-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 122581957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).