[2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid

C20H32N4O3 — CID 67136090

IUPAC[2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid
SMILESCNC(=O)CN(CCC1CCN(c2ccc(CC(C)C)cn2)CC1)C(=O)O
InChIInChI=1S/C20H32N4O3/c1-15(2)12-17-4-5-18(22-13-17)23-9-6-16(7-10-23)8-11-24(20(26)27)14-19(25)21-3/h4-5,13,15-16H,6-12,14H2,1-3H3,(H,21,25)(H,26,27)
InChIKeyAYEXDHWSVVLEPB-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.61
Rot. Bonds8

About [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid

[2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid (PubChem CID 67136090) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid
PubChem CID67136090
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name[2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid
SMILESCNC(=O)CN(CCC1CCN(c2ccc(CC(C)C)cn2)CC1)C(=O)O
InChIInChI=1S/C20H32N4O3/c1-15(2)12-17-4-5-18(22-13-17)23-9-6-16(7-10-23)8-11-24(20(26)27)14-19(25)21-3/h4-5,13,15-16H,6-12,14H2,1-3H3,(H,21,25)(H,26,27)
InChIKeyAYEXDHWSVVLEPB-UHFFFAOYSA-N
XLogP2.61
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] N-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 123852280
2-(1-isoquinolin-1-ylpiperidin-4-yl)ethyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 67136222
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
5-ethyl-2-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]pyridine
CID 178164965
[6-(4-propylpiperidin-1-yl)-3-pyridinyl]methanol
CID 62205775
ethane;(2S)-2-[(1S)-2-[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 144957731
2-[2-[6-[4-(aminomethyl)piperidin-1-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid
CID 123642553
1-[5-(2-aminopropyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine
CID 80634559
5-(chloromethyl)-2-(4-propylpiperidin-1-yl)pyridine
CID 62206468
ethyl 1-[5-(2-aminopropyl)-2-pyridinyl]piperidine-4-carboxylate
CID 170891147
(2S)-2-[(1S)-2-[6-[3-(aminomethyl)pyrrolidin-1-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]-4-methylpentanoic acid;(2S)-4-methyl-2-[(1S)-2-[6-[3-(methylcarbamoyl)pyrrolidin-1-yl]-3-pyridinyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 144957353
N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[4-[3-[1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 73346113

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid?
The IUPAC name of [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid (CID 67136090) is [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid?
The canonical SMILES for [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid is CNC(=O)CN(CCC1CCN(c2ccc(CC(C)C)cn2)CC1)C(=O)O.
What is the InChIKey of [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid?
The InChIKey is AYEXDHWSVVLEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-15(2)12-17-4-5-18(22-13-17)23-9-6-16(7-10-23)8-11-24(20(26)27)14-19(25)21-3/h4-5,13,15-16H,6-12,14H2,1-3H3,(H,21,25)(H,26,27).
What are the key properties of [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid?
[2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid has a molecular weight of 376.50 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl]-[2-[1-[5-(2-methylpropyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamic acid is sourced from PubChem (CID 67136090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).