1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide

C19H29N3O2 — CID 126801639

IUPAC1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)N(C)C
InChIInChI=1S/C19H29N3O2/c1-15(17(23)21(3)4)20-18(24)19(2)10-12-22(13-11-19)14-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3,(H,20,24)/t15-/m0/s1
InChIKeyXEBHXHOWMCMZBO-HNNXBMFYSA-N
MW331.46 g/mol
LogP1.88
Rot. Bonds5

About 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide

1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide (PubChem CID 126801639) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
PubChem CID126801639
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
SMILESC[C@H](NC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)N(C)C
InChIInChI=1S/C19H29N3O2/c1-15(17(23)21(3)4)20-18(24)19(2)10-12-22(13-11-19)14-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3,(H,20,24)/t15-/m0/s1
InChIKeyXEBHXHOWMCMZBO-HNNXBMFYSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(3S)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693393
(2S)-2-[(1-benzylazepan-3-yl)methylcarbamoylamino]-N,N-dimethylpropanamide
CID 136582146
1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
CID 86816799
1-benzyl-N-(1-fluoropropan-2-yl)-4-phenylpiperidine-4-carboxamide
CID 166370243
ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
CID 75455716
1-benzyl-4-methyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 86803093
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 75455668
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136530287

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide (CID 126801639) is 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide is C[C@H](NC(=O)C1(C)CCN(Cc2ccccc2)CC1)C(=O)N(C)C.
What is the InChIKey of 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide?
The InChIKey is XEBHXHOWMCMZBO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(17(23)21(3)4)20-18(24)19(2)10-12-22(13-11-19)14-16-8-6-5-7-9-16/h5-9,15H,10-14H2,1-4H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide?
1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 126801639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).