4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide

C23H38N4O2 — CID 66728483

IUPAC4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(Nc2cc(OCCN3CCCCC3)ccc2N)CC1
InChIInChI=1S/C23H38N4O2/c1-17(2)25-23(28)18-6-8-19(9-7-18)26-22-16-20(10-11-21(22)24)29-15-14-27-12-4-3-5-13-27/h10-11,16-19,26H,3-9,12-15,24H2,1-2H3,(H,25,28)
InChIKeyGCKMSEICQBOJCL-UHFFFAOYSA-N
MW402.58 g/mol
LogP3.63
Rot. Bonds8

About 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide

4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 66728483) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID66728483
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Name4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(Nc2cc(OCCN3CCCCC3)ccc2N)CC1
InChIInChI=1S/C23H38N4O2/c1-17(2)25-23(28)18-6-8-19(9-7-18)26-22-16-20(10-11-21(22)24)29-15-14-27-12-4-3-5-13-27/h10-11,16-19,26H,3-9,12-15,24H2,1-2H3,(H,25,28)
InChIKeyGCKMSEICQBOJCL-UHFFFAOYSA-N
XLogP3.63
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728760
methyl 4-[[5-amino-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]amino]cyclohexane-1-carboxylate
CID 66728866
4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728584
1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 82162790
3-amino-N-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 82070469
4-[[5-amino-2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 66728446
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
4-[[2-(3-morpholin-4-ylpropoxy)-5-nitro-4-pyridinyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86692820
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylpiperidine-4-carboxamide
CID 43576087
N-[2-amino-6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-4-chlorocyclohexane-1-carboxamide
CID 110178520

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide (CID 66728483) is 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1CCC(Nc2cc(OCCN3CCCCC3)ccc2N)CC1.
What is the InChIKey of 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is GCKMSEICQBOJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-17(2)25-23(28)18-6-8-19(9-7-18)26-22-16-20(10-11-21(22)24)29-15-14-27-12-4-3-5-13-27/h10-11,16-19,26H,3-9,12-15,24H2,1-2H3,(H,25,28).
What are the key properties of 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide?
4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(2-piperidin-1-ylethoxy)anilino]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 66728483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).