4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide

C22H33N3O2 — CID 91792119

IUPAC4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCC2)CCCCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H33N3O2/c26-21(19-6-8-20(9-7-19)24-14-16-27-17-15-24)23-18-22(10-2-1-3-11-22)25-12-4-5-13-25/h6-9H,1-5,10-18H2,(H,23,26)
InChIKeyXHSIMEYJNZTVHC-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.05
Rot. Bonds5

About 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide

4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide (PubChem CID 91792119) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
PubChem CID91792119
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
SMILESO=C(NCC1(N2CCCC2)CCCCC1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H33N3O2/c26-21(19-6-8-20(9-7-19)24-14-16-27-17-15-24)23-18-22(10-2-1-3-11-22)25-12-4-5-13-25/h6-9H,1-5,10-18H2,(H,23,26)
InChIKeyXHSIMEYJNZTVHC-UHFFFAOYSA-N
XLogP3.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-yl-N-[(1-pyrrolidin-1-ylcyclopentyl)methyl]benzamide
CID 91760256
4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 46951890
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
1-[[(4-morpholin-4-ylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544308
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylbenzamide
CID 9291996
4-(difluoromethylsulfanyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18148355
4-(3-hydroxy-3-methylbutyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 56892729
4-(difluoromethylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 8502045
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
3,4-diethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 35762390
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 39429392

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide (CID 91792119) is 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide is O=C(NCC1(N2CCCC2)CCCCC1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide?
The InChIKey is XHSIMEYJNZTVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-21(19-6-8-20(9-7-19)24-14-16-27-17-15-24)23-18-22(10-2-1-3-11-22)25-12-4-5-13-25/h6-9H,1-5,10-18H2,(H,23,26).
What are the key properties of 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide?
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide has a molecular weight of 371.53 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 91792119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).