(2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide

C18H29N3O — CID 95614948

IUPAC(2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide
SMILESCN1CCC(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-20(2)17(13-15-7-5-4-6-8-15)18(22)19-14-16-9-11-21(3)12-10-16/h4-8,16-17H,9-14H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyMMLRJKYIPKTAHF-QGZVFWFLSA-N
MW303.45 g/mol
LogP1.62
Rot. Bonds6

About (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide

(2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide (PubChem CID 95614948) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide
PubChem CID95614948
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide
SMILESCN1CCC(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1
InChIInChI=1S/C18H29N3O/c1-20(2)17(13-15-7-5-4-6-8-15)18(22)19-14-16-9-11-21(3)12-10-16/h4-8,16-17H,9-14H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyMMLRJKYIPKTAHF-QGZVFWFLSA-N
XLogP1.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
2,3-dimethyl-4-[(1-methylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103498156
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 86285465
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56522063
1-(cyclopentylmethyl)-3-[2-(dimethylamino)-3-phenylpropyl]urea
CID 166180346
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide
CID 63273982

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide (CID 95614948) is (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide is CN1CCC(CNC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide?
The InChIKey is MMLRJKYIPKTAHF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H29N3O/c1-20(2)17(13-15-7-5-4-6-8-15)18(22)19-14-16-9-11-21(3)12-10-16/h4-8,16-17H,9-14H2,1-3H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide?
(2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide has a molecular weight of 303.45 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 95614948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).