2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide

C19H35N3O2 — CID 6486966

IUPAC2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCC1CCCCC1NC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H35N3O2/c1-14-7-5-6-8-16(14)21-17(23)13-22-11-9-15(10-12-22)20-18(24)19(2,3)4/h14-16H,5-13H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyXJAVATKRSBLHRJ-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.31
Rot. Bonds4

About 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide

2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide (PubChem CID 6486966) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide
PubChem CID6486966
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCC1CCCCC1NC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H35N3O2/c1-14-7-5-6-8-16(14)21-17(23)13-22-11-9-15(10-12-22)20-18(24)19(2,3)4/h14-16H,5-13H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyXJAVATKRSBLHRJ-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(S)-Amino-4-(cyclohexylmethyl-amino)-1-piperidin-1-yl-butan-1-one
CID 11266019
2-(1,4-diazaspiro[5.5]undecan-4-yl)-N-methyl-N-pentylacetamide
CID 49853579
Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 16745886
(6S)-1,6-bis(cyclohexylmethyl)piperazine-2,3-dione
CID 23641167
(6S)-1-butyl-6-(cyclohexylmethyl)piperazine-2,3-dione
CID 53299358
N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanecarboxamide
CID 3237241
N-(2-cyclooctylethyl)-2-piperazin-1-ylpropanamide
CID 49853882
(6S)-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 45281051
4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
CID 3238870
4-methyl-N-(3-methyl-1-{[2-(4-methylpiperidin-1-yl)ethyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243893
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~2~-[(4-methylcyclohexyl)carbonyl]isoleucinamide
CID 16187988

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide (CID 6486966) is 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide is CC1CCCCC1NC(=O)CN1CCC(NC(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide?
The InChIKey is XJAVATKRSBLHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-14-7-5-6-8-16(14)21-17(23)13-22-11-9-15(10-12-22)20-18(24)19(2,3)4/h14-16H,5-13H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide?
2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide has a molecular weight of 337.51 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 6486966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).