4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide

C18H34N4O2 — CID 122144140

IUPAC4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
SMILESCNC(=O)CC1CCN(C(=O)NCC(C)N2CCCC(C)C2)CC1
InChIInChI=1S/C18H34N4O2/c1-14-5-4-8-22(13-14)15(2)12-20-18(24)21-9-6-16(7-10-21)11-17(23)19-3/h14-16H,4-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyUFFDNGOYWSKQDS-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.66
Rot. Bonds5

About 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide

4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide (PubChem CID 122144140) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
PubChem CID122144140
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
SMILESCNC(=O)CC1CCN(C(=O)NCC(C)N2CCCC(C)C2)CC1
InChIInChI=1S/C18H34N4O2/c1-14-5-4-8-22(13-14)15(2)12-20-18(24)21-9-6-16(7-10-21)11-17(23)19-3/h14-16H,4-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyUFFDNGOYWSKQDS-UHFFFAOYSA-N
XLogP1.66
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 98752850
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94099206
5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122171
4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 49124030
ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate
CID 87005476
(2R)-N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]oxolane-2-carboxamide
CID 100839126
(2S)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 94026257
N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47036190
ethyl 4-[[N'-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327163
2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887280
2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine
CID 115607178

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide (CID 122144140) is 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide is CNC(=O)CC1CCN(C(=O)NCC(C)N2CCCC(C)C2)CC1.
What is the InChIKey of 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide?
The InChIKey is UFFDNGOYWSKQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-14-5-4-8-22(13-14)15(2)12-20-18(24)21-9-6-16(7-10-21)11-17(23)19-3/h14-16H,4-13H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide?
4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 122144140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).