N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide

C23H42N4O — CID 45172824

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCN1CCC(N2CCCC(NC(=O)C3(N4CCCCC4)CCCCC3)C2)CC1
InChIInChI=1S/C23H42N4O/c1-25-17-10-21(11-18-25)26-14-8-9-20(19-26)24-22(28)23(12-4-2-5-13-23)27-15-6-3-7-16-27/h20-21H,2-19H2,1H3,(H,24,28)
InChIKeyOCEUGTXMHSMKQQ-UHFFFAOYSA-N
MW390.62 g/mol
LogP2.85
Rot. Bonds4

About N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide

N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 45172824) has the molecular formula C23H42N4O and a molecular weight of 390.62 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID45172824
Molecular FormulaC23H42N4O
Molecular Weight390.62 g/mol
Exact Mass390.34
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCN1CCC(N2CCCC(NC(=O)C3(N4CCCCC4)CCCCC3)C2)CC1
InChIInChI=1S/C23H42N4O/c1-25-17-10-21(11-18-25)26-14-8-9-20(19-26)24-22(28)23(12-4-2-5-13-23)27-15-6-3-7-16-27/h20-21H,2-19H2,1H3,(H,24,28)
InChIKeyOCEUGTXMHSMKQQ-UHFFFAOYSA-N
XLogP2.85
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
N-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanecarboxamide
CID 3237241
4-methyl-N-[3-methyl-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]cyclohexane-1-carboxamide
CID 3238870
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~2~-[(4-methylcyclohexyl)carbonyl]isoleucinamide
CID 16187988
N-[(2S)-4-(4-methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]cyclohexanecarboxamide
CID 126601789
N-(1-((3-(3,5-dimethylpiperidin-1-yl)propyl)amino)-3-methyl-1-oxobutan-2-yl)-4-methylcyclohexanecarboxamide
CID 5189481
N-(1-{[3-(4-ethylpiperazin-1-yl)propyl]amino}-3-methyl-1-oxobutan-2-yl)-4-methylcyclohexanecarboxamide
CID 3241680
(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 11912128
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1,4-bis(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 25391103
N-[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]cyclohexanecarboxamide
CID 40780031
2-(1-Cyclohexanecarbonylpiperidin-4-YL)-N-[3-(4-ethylpiperazin-1-YL)propyl]acetamide
CID 46295231
4-[(1R,3AS,10AR,10BS)-2-Acetyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-{2-[cyclohexyl(methyl)amino]ethyl}butanamide
CID 110195862

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide (CID 45172824) is N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide is CN1CCC(N2CCCC(NC(=O)C3(N4CCCCC4)CCCCC3)C2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is OCEUGTXMHSMKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O/c1-25-17-10-21(11-18-25)26-14-8-9-20(19-26)24-22(28)23(12-4-2-5-13-23)27-15-6-3-7-16-27/h20-21H,2-19H2,1H3,(H,24,28).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 390.62 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 45172824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).