(1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol

C20H32N4O3 — CID 86768988

IUPAC(1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
SMILESCN1CCC(N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C20H32N4O3/c1-23-6-4-15(5-7-23)22-19-16(12-17(25)20(19)26)14-2-3-18(21-13-14)24-8-10-27-11-9-24/h2-3,13,15-17,19-20,22,25-26H,4-12H2,1H3/t16-,17-,19-,20-/m1/s1
InChIKeyQKDMDDHUHYFWHO-HNBVOPMISA-N
MW376.50 g/mol
LogP0.18
Rot. Bonds4

About (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol

(1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol (PubChem CID 86768988) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
PubChem CID86768988
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name(1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol
SMILESCN1CCC(N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C20H32N4O3/c1-23-6-4-15(5-7-23)22-19-16(12-17(25)20(19)26)14-2-3-18(21-13-14)24-8-10-27-11-9-24/h2-3,13,15-17,19-20,22,25-26H,4-12H2,1H3/t16-,17-,19-,20-/m1/s1
InChIKeyQKDMDDHUHYFWHO-HNBVOPMISA-N
XLogP0.18
TPSA81.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-1,5-dimethylpyrazole-3-carboxamide
CID 75536093
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]-2-(4-methoxyphenyl)acetamide
CID 71694006
3-cyano-N-[2,3-dihydroxy-5-(6-morpholin-4-yl-3-pyridinyl)cyclopentyl]benzamide
CID 78151055
N-(1-methylpyrrolidin-3-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 72570198
N-[(3R)-1-methylpyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 59818085
4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline
CID 67236705
1-[2-(6-morpholin-4-yl-3-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102541564
N-cyclopentyl-6-morpholin-4-ylpyridin-3-amine
CID 43724730
1-cyclopropyl-3-(6-morpholin-4-yl-3-pyridinyl)thiourea
CID 94591469
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 34444534
1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
CID 118482519

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol (CID 86768988) is (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol is CN1CCC(N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(N3CCOCC3)nc2)CC1.
What is the InChIKey of (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
The InChIKey is QKDMDDHUHYFWHO-HNBVOPMISA-N. The full InChI is InChI=1S/C20H32N4O3/c1-23-6-4-15(5-7-23)22-19-16(12-17(25)20(19)26)14-2-3-18(21-13-14)24-8-10-27-11-9-24/h2-3,13,15-17,19-20,22,25-26H,4-12H2,1H3/t16-,17-,19-,20-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol has a molecular weight of 376.50 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-4-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1,2-diol is sourced from PubChem (CID 86768988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).