(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride

C19H28Cl2N4O3 — CID 154914481

IUPAC(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCNCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H26N4O3.2ClH/c24-16-12-26-18(19(25)22-10-13-5-8-20-9-6-13)17(23(16)15-3-4-15)14-2-1-7-21-11-14;;/h1-2,7,11,13,15,17-18,20H,3-6,8-10,12H2,(H,22,25);2*1H/t17-,18+;;/m1../s1
InChIKeyFNZKXBFMBGHCRQ-WCRQIBMVSA-N
MW431.36 g/mol
LogP1.47
Rot. Bonds5

About (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride

(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride (PubChem CID 154914481) has the molecular formula C19H28Cl2N4O3 and a molecular weight of 431.36 g/mol. Its IUPAC name is (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride
PubChem CID154914481
Molecular FormulaC19H28Cl2N4O3
Molecular Weight431.36 g/mol
Exact Mass430.15
IUPAC Name(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCNCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H26N4O3.2ClH/c24-16-12-26-18(19(25)22-10-13-5-8-20-9-6-13)17(23(16)15-3-4-15)14-2-1-7-21-11-14;;/h1-2,7,11,13,15,17-18,20H,3-6,8-10,12H2,(H,22,25);2*1H/t17-,18+;;/m1../s1
InChIKeyFNZKXBFMBGHCRQ-WCRQIBMVSA-N
XLogP1.47
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134706530
(2S,3R)-4-cyclopropyl-5-oxo-N-(2-piperazin-1-ylethyl)-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134709167
(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-yl-N-(2-pyridin-3-ylethyl)morpholine-2-carboxamide
CID 134709742
(2S,3R)-N-[(3-cyanophenyl)methyl]-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 157012798
(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
CID 134695661
(2S,3R)-4-cyclopropyl-N-(1-ethylcyclopentyl)-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134709598
(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134701916
(5R,6S)-6-(4-acetylpiperazine-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134713313
(2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid
CID 163341011
methyl (1S,5R)-3-[(2S,3R)-4-cyclopropyl-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 157014008
(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one
CID 134704558
(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134699988

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride (CID 154914481) is (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCNCC1)[C@H]1OCC(=O)N(C2CC2)[C@@H]1c1cccnc1.
What is the InChIKey of (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride?
The InChIKey is FNZKXBFMBGHCRQ-WCRQIBMVSA-N. The full InChI is InChI=1S/C19H26N4O3.2ClH/c24-16-12-26-18(19(25)22-10-13-5-8-20-9-6-13)17(23(16)15-3-4-15)14-2-1-7-21-11-14;;/h1-2,7,11,13,15,17-18,20H,3-6,8-10,12H2,(H,22,25);2*1H/t17-,18+;;/m1../s1.
What are the key properties of (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride?
(2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride has a molecular weight of 431.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-cyclopropyl-5-oxo-N-(piperidin-4-ylmethyl)-3-pyridin-3-ylmorpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154914481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).