N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride

C19H28ClN3O3 — CID 120919828

IUPACN-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)NCc2ccccc2)CC1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-14-17(20-9-12-25-14)19(24)22-10-7-16(8-11-22)18(23)21-13-15-5-3-2-4-6-15;/h2-6,14,16-17,20H,7-13H2,1H3,(H,21,23);1H/t14-,17+;/m1./s1
InChIKeyFMIYGTKIJXKRDK-CVLQQERVSA-N
MW381.90 g/mol
LogP1.34
Rot. Bonds4

About N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride

N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120919828) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120919828
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)NCc2ccccc2)CC1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-14-17(20-9-12-25-14)19(24)22-10-7-16(8-11-22)18(23)21-13-15-5-3-2-4-6-15;/h2-6,14,16-17,20H,7-13H2,1H3,(H,21,23);1H/t14-,17+;/m1./s1
InChIKeyFMIYGTKIJXKRDK-CVLQQERVSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride (CID 120919828) is N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCC(C(=O)NCc2ccccc2)CC1.Cl.
What is the InChIKey of N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is FMIYGTKIJXKRDK-CVLQQERVSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-14-17(20-9-12-25-14)19(24)22-10-7-16(8-11-22)18(23)21-13-15-5-3-2-4-6-15;/h2-6,14,16-17,20H,7-13H2,1H3,(H,21,23);1H/t14-,17+;/m1./s1.
What are the key properties of N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride?
N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120919828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).