N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide

C23H35N3O4S — CID 17391709

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H35N3O4S/c27-22(24-19-23(10-3-1-4-11-23)25-14-16-30-17-15-25)20-8-7-9-21(18-20)31(28,29)26-12-5-2-6-13-26/h7-9,18H,1-6,10-17,19H2,(H,24,27)
InChIKeyVPCQYHPSBHPMDJ-UHFFFAOYSA-N
MW449.62 g/mol
LogP2.63
Rot. Bonds6

About N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 17391709) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID17391709
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H35N3O4S/c27-22(24-19-23(10-3-1-4-11-23)25-14-16-30-17-15-25)20-8-7-9-21(18-20)31(28,29)26-12-5-2-6-13-26/h7-9,18H,1-6,10-17,19H2,(H,24,27)
InChIKeyVPCQYHPSBHPMDJ-UHFFFAOYSA-N
XLogP2.63
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2449881
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 17483248
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-[(4-morpholin-4-ylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 50946109
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 60551800
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27899280
3-morpholin-4-ylsulfonyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 99258291
3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 78784195

Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide (CID 17391709) is N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VPCQYHPSBHPMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O4S/c27-22(24-19-23(10-3-1-4-11-23)25-14-16-30-17-15-25)20-8-7-9-21(18-20)31(28,29)26-12-5-2-6-13-26/h7-9,18H,1-6,10-17,19H2,(H,24,27).
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 449.62 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 17391709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).