3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide

C20H33N3O2 — CID 96551104

IUPAC3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide
SMILESCCOCCCN1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1
InChIInChI=1S/C20H33N3O2/c1-5-25-13-7-11-23-12-10-19(16(2)15-23)21-20(24)17-8-6-9-18(14-17)22(3)4/h6,8-9,14,16,19H,5,7,10-13,15H2,1-4H3,(H,21,24)/t16-,19-/m1/s1
InChIKeyMRZNTBPLLSWREB-VQIMIIECSA-N
MW347.50 g/mol
LogP2.62
Rot. Bonds8

About 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide

3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide (PubChem CID 96551104) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide
PubChem CID96551104
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide
SMILESCCOCCCN1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1
InChIInChI=1S/C20H33N3O2/c1-5-25-13-7-11-23-12-10-19(16(2)15-23)21-20(24)17-8-6-9-18(14-17)22(3)4/h6,8-9,14,16,19H,5,7,10-13,15H2,1-4H3,(H,21,24)/t16-,19-/m1/s1
InChIKeyMRZNTBPLLSWREB-VQIMIIECSA-N
XLogP2.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-[(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzamide
CID 154815880
2-(4-aminophenyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]acetamide
CID 119887515
N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
CID 100857566
2-(aminomethyl)-N-[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119887540
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
(1R)-N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 100900016
N-[(3S,4S)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylbenzamide;hydrochloride
CID 24834370
2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
N-[2-[[1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]amino]-2-oxoethyl]-2-methylbutanamide
CID 86958670
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide (CID 96551104) is 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide is CCOCCCN1CC[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@H](C)C1.
What is the InChIKey of 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide?
The InChIKey is MRZNTBPLLSWREB-VQIMIIECSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-25-13-7-11-23-12-10-19(16(2)15-23)21-20(24)17-8-6-9-18(14-17)22(3)4/h6,8-9,14,16,19H,5,7,10-13,15H2,1-4H3,(H,21,24)/t16-,19-/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide?
3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide has a molecular weight of 347.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3R,4R)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]benzamide is sourced from PubChem (CID 96551104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).