N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide

C23H36N4O2 — CID 46038655

IUPACN-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
SMILESCC(C)NC(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-17(2)24-23(29)25-18-13-15-27(16-14-18)21-12-8-7-11-20(21)22(28)26(3)19-9-5-4-6-10-19/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3,(H2,24,25,29)
InChIKeyROKBSWULSSHABO-UHFFFAOYSA-N
MW400.57 g/mol
LogP3.77
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide

N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide (PubChem CID 46038655) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
PubChem CID46038655
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC NameN-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
SMILESCC(C)NC(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-17(2)24-23(29)25-18-13-15-27(16-14-18)21-12-8-7-11-20(21)22(28)26(3)19-9-5-4-6-10-19/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3,(H2,24,25,29)
InChIKeyROKBSWULSSHABO-UHFFFAOYSA-N
XLogP3.77
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
CID 24719023
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46156224
N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848459
N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
CID 42848309
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038653
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide (CID 46038655) is N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide is CC(C)NC(=O)NC1CCN(c2ccccc2C(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide?
The InChIKey is ROKBSWULSSHABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-17(2)24-23(29)25-18-13-15-27(16-14-18)21-12-8-7-11-20(21)22(28)26(3)19-9-5-4-6-10-19/h7-8,11-12,17-19H,4-6,9-10,13-16H2,1-3H3,(H2,24,25,29).
What are the key properties of N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide?
N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide has a molecular weight of 400.57 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 46038655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).