N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide

C18H34N4O2 — CID 119464761

IUPACN-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)NCC2CCCNC2)C1
InChIInChI=1S/C18H34N4O2/c1-14(2)10-21-18(24)22-8-4-6-15(13-22)9-17(23)20-12-16-5-3-7-19-11-16/h14-16,19H,3-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFJEPIVPHWNKABO-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.57
Rot. Bonds6

About N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide

N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide (PubChem CID 119464761) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
PubChem CID119464761
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC NameN-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)NCC2CCCNC2)C1
InChIInChI=1S/C18H34N4O2/c1-14(2)10-21-18(24)22-8-4-6-15(13-22)9-17(23)20-12-16-5-3-7-19-11-16/h14-16,19H,3-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFJEPIVPHWNKABO-UHFFFAOYSA-N
XLogP1.57
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119418872
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271888
3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119444654
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
3-[2-[(2-amino-1-cyclopropylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119617925
(2S)-2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]hexanoic acid
CID 120615595
2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217371
(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-piperidin-3-ylacetamide
CID 62690196
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 63897115

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide (CID 119464761) is N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide is CC(C)CNC(=O)N1CCCC(CC(=O)NCC2CCCNC2)C1.
What is the InChIKey of N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is FJEPIVPHWNKABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-14(2)10-21-18(24)22-8-4-6-15(13-22)9-17(23)20-12-16-5-3-7-19-11-16/h14-16,19H,3-13H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide?
N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 119464761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).