N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide

C20H39N5O — CID 143671876

IUPACN-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide
SMILESCC(N)NC1CC(NC(=O)C2CCNC(N3CCCCC3)C2)CCC1C
InChIInChI=1S/C20H39N5O/c1-14-6-7-17(13-18(14)23-15(2)21)24-20(26)16-8-9-22-19(12-16)25-10-4-3-5-11-25/h14-19,22-23H,3-13,21H2,1-2H3,(H,24,26)
InChIKeyJJDKBVVFLFSQBF-UHFFFAOYSA-N
MW365.57 g/mol
LogP1.37
Rot. Bonds5

About N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide

N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 143671876) has the molecular formula C20H39N5O and a molecular weight of 365.57 g/mol. Its IUPAC name is N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID143671876
Molecular FormulaC20H39N5O
Molecular Weight365.57 g/mol
Exact Mass365.32
IUPAC NameN-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide
SMILESCC(N)NC1CC(NC(=O)C2CCNC(N3CCCCC3)C2)CCC1C
InChIInChI=1S/C20H39N5O/c1-14-6-7-17(13-18(14)23-15(2)21)24-20(26)16-8-9-22-19(12-16)25-10-4-3-5-11-25/h14-19,22-23H,3-13,21H2,1-2H3,(H,24,26)
InChIKeyJJDKBVVFLFSQBF-UHFFFAOYSA-N
XLogP1.37
TPSA82.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-Ethylcyclohexyl)-3-[1-(2-methylbutanoyl)piperidin-4-yl]urea
CID 118712048
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-cyclohexylmethyl-amide
CID 654301
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(2-methyl-cyclohexyl)-amide]
CID 648055
Piperidine-1,4-dicarboxylic acid 1-cyclohexylamide 4-[(4-methyl-cyclohexyl)-amide]
CID 646041
N1,N1-dimethyl-N4-(2-methylcyclohexyl)piperidine-1,4-dicarboxamide
CID 4148092
2-(4-fluoropiperidin-1-yl)-N-[4-methyl-3-[(4-piperidin-3-yl-1,3-diazinan-2-yl)amino]cyclohexyl]piperidine-4-carboxamide
CID 145739184
6-(3-fluoropiperidin-1-yl)-N-[4-methyl-3-[(4-piperidin-3-yl-1,3-diazinan-2-yl)amino]cyclohexyl]piperidine-3-carboxamide
CID 145739230
2-(3-fluoropiperidin-1-yl)-N-[4-methyl-3-[(4-piperidin-3-yl-1,3-diazinan-2-yl)amino]cyclohexyl]piperidine-4-carboxamide
CID 145739269
5-fluoro-N-[4-methyl-3-[(4-piperidin-3-yl-1,3-diazinan-2-yl)amino]cyclohexyl]piperidine-3-carboxamide
CID 145739322
1-(2-amino-6-methyl-1,3-diazinan-4-yl)-N-(2-fluorocyclohexyl)piperidine-4-carboxamide
CID 177099654
US20240262804, Example 234
CID 172430371
US20240262804, Example 236
CID 172430373

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide (CID 143671876) is N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide is CC(N)NC1CC(NC(=O)C2CCNC(N3CCCCC3)C2)CCC1C.
What is the InChIKey of N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is JJDKBVVFLFSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O/c1-14-6-7-17(13-18(14)23-15(2)21)24-20(26)16-8-9-22-19(12-16)25-10-4-3-5-11-25/h14-19,22-23H,3-13,21H2,1-2H3,(H,24,26).
What are the key properties of N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide?
N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 365.57 g/mol, XLogP of 1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethylamino)-4-methylcyclohexyl]-2-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 143671876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).