N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride

C17H27Cl2N3O2 — CID 154903636

IUPACN-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
SMILESCc1cccc(N2CCC(NC(=O)C3CNCCO3)CC2)c1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13-3-2-4-15(11-13)20-8-5-14(6-9-20)19-17(21)16-12-18-7-10-22-16;;/h2-4,11,14,16,18H,5-10,12H2,1H3,(H,19,21);2*1H
InChIKeyDVBYGQSHBDZPCL-UHFFFAOYSA-N
MW376.33 g/mol
LogP1.91
Rot. Bonds3

About N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride

N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 154903636) has the molecular formula C17H27Cl2N3O2 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
PubChem CID154903636
Molecular FormulaC17H27Cl2N3O2
Molecular Weight376.33 g/mol
Exact Mass375.15
IUPAC NameN-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
SMILESCc1cccc(N2CCC(NC(=O)C3CNCCO3)CC2)c1.Cl.Cl
InChIInChI=1S/C17H25N3O2.2ClH/c1-13-3-2-4-15(11-13)20-8-5-14(6-9-20)19-17(21)16-12-18-7-10-22-16;;/h2-4,11,14,16,18H,5-10,12H2,1H3,(H,19,21);2*1H
InChIKeyDVBYGQSHBDZPCL-UHFFFAOYSA-N
XLogP1.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119899460
N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119770095
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119699511
N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119884413
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119900435
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide
CID 70808379
N-[1-(3-phenylpropanoyl)piperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119735145
(2S)-N-cyclopentylmorpholine-2-carboxamide
CID 92614945
N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119707893
(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 118788710

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride (CID 154903636) is N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride is Cc1cccc(N2CCC(NC(=O)C3CNCCO3)CC2)c1.Cl.Cl.
What is the InChIKey of N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is DVBYGQSHBDZPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.2ClH/c1-13-3-2-4-15(11-13)20-8-5-14(6-9-20)19-17(21)16-12-18-7-10-22-16;;/h2-4,11,14,16,18H,5-10,12H2,1H3,(H,19,21);2*1H.
What are the key properties of N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride?
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 376.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154903636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).