N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide

C18H25N3O3 — CID 119770095

IUPACN-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3CNCCO3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-13-2-4-14(5-3-13)18(23)21-9-6-15(7-10-21)20-17(22)16-12-19-8-11-24-16/h2-5,15-16,19H,6-12H2,1H3,(H,20,22)
InChIKeyXOIPLCQMBASVHK-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.70
Rot. Bonds3

About N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide

N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide (PubChem CID 119770095) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
PubChem CID119770095
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3CNCCO3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-13-2-4-14(5-3-13)18(23)21-9-6-15(7-10-21)20-17(22)16-12-19-8-11-24-16/h2-5,15-16,19H,6-12H2,1H3,(H,20,22)
InChIKeyXOIPLCQMBASVHK-UHFFFAOYSA-N
XLogP0.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119699511
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636
N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119712395
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
(2S,5R)-5-(aminomethyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]oxolane-2-carboxamide;hydrochloride
CID 120791757
N-[1-(3-phenylpropanoyl)piperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119735145
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119183943
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119840351

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide?
The IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide (CID 119770095) is N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide is Cc1ccc(C(=O)N2CCC(NC(=O)C3CNCCO3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide?
The InChIKey is XOIPLCQMBASVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-2-4-14(5-3-13)18(23)21-9-6-15(7-10-21)20-17(22)16-12-19-8-11-24-16/h2-5,15-16,19H,6-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide?
N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 119770095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).