(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride

C18H26ClN3O3 — CID 120577029

IUPAC(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-13-15(8-5-9-19-13)20-18(23)16-11-24-12-17(22)21(16)10-14-6-3-2-4-7-14;/h2-4,6-7,13,15-16,19H,5,8-12H2,1H3,(H,20,23);1H/t13?,15?,16-;/m1./s1
InChIKeyKFRDDNOGTDPYMN-SQUGVSCCSA-N
MW367.88 g/mol
LogP1.09
Rot. Bonds4

About (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride

(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride (PubChem CID 120577029) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride
PubChem CID120577029
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC Name(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-13-15(8-5-9-19-13)20-18(23)16-11-24-12-17(22)21(16)10-14-6-3-2-4-7-14;/h2-4,6-7,13,15-16,19H,5,8-12H2,1H3,(H,20,23);1H/t13?,15?,16-;/m1./s1
InChIKeyKFRDDNOGTDPYMN-SQUGVSCCSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 120577030
(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide
CID 120601731
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119602840
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841
4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 71877650
(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
CID 124857097
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide
CID 97086193
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119641724

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride (CID 120577029) is (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride is CC1NCCCC1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1.Cl.
What is the InChIKey of (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride?
The InChIKey is KFRDDNOGTDPYMN-SQUGVSCCSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-13-15(8-5-9-19-13)20-18(23)16-11-24-12-17(22)21(16)10-14-6-3-2-4-7-14;/h2-4,6-7,13,15-16,19H,5,8-12H2,1H3,(H,20,23);1H/t13?,15?,16-;/m1./s1.
What are the key properties of (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride?
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120577029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).