N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

C20H30N4O3 — CID 25489817

IUPACN-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-14-5-7-17(8-6-14)22-18(25)13-23(4)20(27)15(2)24-11-9-16(10-12-24)19(26)21-3/h5-8,15-16H,9-13H2,1-4H3,(H,21,26)(H,22,25)/t15-/m1/s1
InChIKeyXVCMTZATGWOEBR-OAHLLOKOSA-N
MW374.49 g/mol
LogP1.24
Rot. Bonds6

About N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 25489817) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID25489817
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C20H30N4O3/c1-14-5-7-17(8-6-14)22-18(25)13-23(4)20(27)15(2)24-11-9-16(10-12-24)19(26)21-3/h5-8,15-16H,9-13H2,1-4H3,(H,21,26)(H,22,25)/t15-/m1/s1
InChIKeyXVCMTZATGWOEBR-OAHLLOKOSA-N
XLogP1.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-piperidin-1-ylpropanamide
CID 8894647
1-[(2S)-1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42542888
ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 8932063
N-methyl-1-[1-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 42929030
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17484909
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17494408
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8687371
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 38008538
(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8704392
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050
1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 24580188
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 25489817) is N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide is CNC(=O)C1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is XVCMTZATGWOEBR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14-5-7-17(8-6-14)22-18(25)13-23(4)20(27)15(2)24-11-9-16(10-12-24)19(26)21-3/h5-8,15-16H,9-13H2,1-4H3,(H,21,26)(H,22,25)/t15-/m1/s1.
What are the key properties of N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25489817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).