(3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

C16H26N4O2 — CID 97461302

IUPAC(3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCn1ccnc1CN1C[C@@H]2COC[C@@H](N3CCOCC3)[C@@H]2C1
InChIInChI=1S/C16H26N4O2/c1-18-3-2-17-16(18)10-19-8-13-11-22-12-15(14(13)9-19)20-4-6-21-7-5-20/h2-3,13-15H,4-12H2,1H3/t13-,14-,15-/m1/s1
InChIKeyGYXDTULPKJLRKG-RBSFLKMASA-N
MW306.41 g/mol
LogP0.20
Rot. Bonds3

About (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

(3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (PubChem CID 97461302) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
PubChem CID97461302
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCn1ccnc1CN1C[C@@H]2COC[C@@H](N3CCOCC3)[C@@H]2C1
InChIInChI=1S/C16H26N4O2/c1-18-3-2-17-16(18)10-19-8-13-11-22-12-15(14(13)9-19)20-4-6-21-7-5-20/h2-3,13-15H,4-12H2,1H3/t13-,14-,15-/m1/s1
InChIKeyGYXDTULPKJLRKG-RBSFLKMASA-N
XLogP0.20
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole 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

(3R,3aS,7aR)-N,N-diethyl-1-[(1-methylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 97460287
(3S,3aR,7aS)-1-[(1-methylimidazol-2-yl)methyl]-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460310
(3aR,7aS)-5-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97508589
(3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole;tris(2,2,2-trifluoroacetic acid)
CID 155853235
(3S)-N,N-diethyl-1-[(1-methylimidazol-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-amine
CID 134689925
4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,3-dimethylbutyl]-8-(2,3-dimethylbutan-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 129272808
2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propyl]-5-ethyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 139297485
5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 145201981
7-(2,3,3-trimethylbutan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;(5R)-8-(2,3,3-trimethylbutan-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 161291744
N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 45218372
1-(1-ethyl-2-pyrrolidinyl)-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 45218918
1-(1-cyclopentylpiperidin-4-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)methanamine
CID 45237271

Frequently Asked Questions

What is the IUPAC name of (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The IUPAC name of (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (CID 97461302) is (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.
What is the SMILES notation for (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The canonical SMILES for (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is Cn1ccnc1CN1C[C@@H]2COC[C@@H](N3CCOCC3)[C@@H]2C1.
What is the InChIKey of (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The InChIKey is GYXDTULPKJLRKG-RBSFLKMASA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-3-2-17-16(18)10-19-8-13-11-22-12-15(14(13)9-19)20-4-6-21-7-5-20/h2-3,13-15H,4-12H2,1H3/t13-,14-,15-/m1/s1.
What are the key properties of (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
(3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole has a molecular weight of 306.41 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7S,7aS)-2-[(1-methylimidazol-2-yl)methyl]-7-morpholin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is sourced from PubChem (CID 97461302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).