N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide

C18H26N2O3 — CID 110128257

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c21-17-15(19-18(22)14-6-2-1-3-7-14)8-4-5-9-16(17)20-10-12-23-13-11-20/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,19,22)/t15-,16-,17-/m1/s1
InChIKeyQHXHEAHVLBJBQW-BRWVUGGUSA-N
MW318.42 g/mol
LogP1.42
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide (PubChem CID 110128257) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
PubChem CID110128257
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c21-17-15(19-18(22)14-6-2-1-3-7-14)8-4-5-9-16(17)20-10-12-23-13-11-20/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,19,22)/t15-,16-,17-/m1/s1
InChIKeyQHXHEAHVLBJBQW-BRWVUGGUSA-N
XLogP1.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-3-methoxybenzamide
CID 110128022
N-[2-(morpholine-4-carbonyl)cyclohexyl]benzamide
CID 154704792
4-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]benzamide
CID 110128189
3-bromo-2-hydroxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]benzamide
CID 110166075
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110154641
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide
CID 110128094
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide
CID 110128062
[(1R,2S)-2-morpholin-4-ylcyclohexyl]-phenylmethanone
CID 125474477
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]quinoline-6-carboxamide
CID 110128202
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide
CID 110127542
N-[(1S,6S,7R,8R)-1,7,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]benzamide
CID 44634035

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide (CID 110128257) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide is O=C(N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide?
The InChIKey is QHXHEAHVLBJBQW-BRWVUGGUSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17-15(19-18(22)14-6-2-1-3-7-14)8-4-5-9-16(17)20-10-12-23-13-11-20/h1-3,6-7,15-17,21H,4-5,8-13H2,(H,19,22)/t15-,16-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide is sourced from PubChem (CID 110128257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).