N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide

C23H36N4O2 — CID 86904322

IUPACN-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide
SMILESCCCNC(=O)Nc1ccc(CC(=O)NC2CCCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C23H36N4O2/c1-2-14-24-23(29)26-19-12-10-18(11-13-19)16-22(28)25-20-7-6-15-27(17-20)21-8-4-3-5-9-21/h10-13,20-21H,2-9,14-17H2,1H3,(H,25,28)(H2,24,26,29)
InChIKeyDXLHQEZQTYXBNS-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.67
Rot. Bonds7

About N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide

N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide (PubChem CID 86904322) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide
PubChem CID86904322
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide
SMILESCCCNC(=O)Nc1ccc(CC(=O)NC2CCCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C23H36N4O2/c1-2-14-24-23(29)26-19-12-10-18(11-13-19)16-22(28)25-20-7-6-15-27(17-20)21-8-4-3-5-9-21/h10-13,20-21H,2-9,14-17H2,1H3,(H,25,28)(H2,24,26,29)
InChIKeyDXLHQEZQTYXBNS-UHFFFAOYSA-N
XLogP3.67
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]benzoate
CID 42393817
(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900292
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
CID 56785441
N-[(3S)-1-cyclohexylpiperidin-3-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 125164899

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide (CID 86904322) is N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide is CCCNC(=O)Nc1ccc(CC(=O)NC2CCCN(C3CCCCC3)C2)cc1.
What is the InChIKey of N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide?
The InChIKey is DXLHQEZQTYXBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-2-14-24-23(29)26-19-12-10-18(11-13-19)16-22(28)25-20-7-6-15-27(17-20)21-8-4-3-5-9-21/h10-13,20-21H,2-9,14-17H2,1H3,(H,25,28)(H2,24,26,29).
What are the key properties of N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide?
N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide has a molecular weight of 400.57 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpiperidin-3-yl)-2-[4-(propylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 86904322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).