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

C17H28N4O3 — CID 110128279

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H28N4O3/c22-16(5-7-20-8-6-18-13-20)19-14-3-1-2-4-15(17(14)23)21-9-11-24-12-10-21/h6,8,13-15,17,23H,1-5,7,9-12H2,(H,19,22)/t14-,15-,17-/m1/s1
InChIKeyGYFTXUMGRIZLGK-BFYDXBDKSA-N
MW336.44 g/mol
LogP0.39
Rot. Bonds5

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

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide (PubChem CID 110128279) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide
PubChem CID110128279
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide
SMILESO=C(CCn1ccnc1)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O
InChIInChI=1S/C17H28N4O3/c22-16(5-7-20-8-6-18-13-20)19-14-3-1-2-4-15(17(14)23)21-9-11-24-12-10-21/h6,8,13-15,17,23H,1-5,7,9-12H2,(H,19,22)/t14-,15-,17-/m1/s1
InChIKeyGYFTXUMGRIZLGK-BFYDXBDKSA-N
XLogP0.39
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide
CID 104957006
N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide
CID 63251221
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110128285
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide
CID 110128062
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]benzamide
CID 110128257
2-ethoxy-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]acetamide
CID 110128085
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110127909
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide
CID 110128094
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 71927864
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide
CID 110127432
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide
CID 110127542
3-(2-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]propanamide
CID 110127560

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide (CID 110128279) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide is O=C(CCn1ccnc1)N[C@@H]1CCCC[C@@H](N2CCOCC2)[C@@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide?
The InChIKey is GYFTXUMGRIZLGK-BFYDXBDKSA-N. The full InChI is InChI=1S/C17H28N4O3/c22-16(5-7-20-8-6-18-13-20)19-14-3-1-2-4-15(17(14)23)21-9-11-24-12-10-21/h6,8,13-15,17,23H,1-5,7,9-12H2,(H,19,22)/t14-,15-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 110128279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).