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

C18H29Cl2N3O2 — CID 119844550

IUPACN-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(CCc2ccccc2)CC1)C1COCCN1
InChIInChI=1S/C18H27N3O2.2ClH/c22-18(17-14-23-13-9-19-17)20-16-7-11-21(12-8-16)10-6-15-4-2-1-3-5-15;;/h1-5,16-17,19H,6-14H2,(H,20,22);2*1H
InChIKeyHSDQTCZTVFLLIZ-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.64
Rot. Bonds5

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

N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119844550) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119844550
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(CCc2ccccc2)CC1)C1COCCN1
InChIInChI=1S/C18H27N3O2.2ClH/c22-18(17-14-23-13-9-19-17)20-16-7-11-21(12-8-16)10-6-15-4-2-1-3-5-15;;/h1-5,16-17,19H,6-14H2,(H,20,22);2*1H
InChIKeyHSDQTCZTVFLLIZ-UHFFFAOYSA-N
XLogP1.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylsulfonylpiperidin-4-yl)morpholine-3-carboxamide;hydrochloride
CID 119795822
N-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-3-carboxamide
CID 119883692
4-cyclopentyl-N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide
CID 136537790
N-[1-(2-fluorobenzoyl)piperidin-4-yl]morpholine-3-carboxamide
CID 119710946
N-[1-(2-phenylethyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119844573
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738
N-cycloheptylmorpholine-3-carboxamide;hydrochloride
CID 119674644
(2S)-2-(morpholine-3-carbonylamino)-4-phenylbutanoic acid
CID 104983382
N-(1-benzylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 43424739
(3R)-N-pyrrolidin-3-ylmorpholine-3-carboxamide;hydrochloride
CID 130748088
(2S,5R)-5-(aminomethyl)-N-[1-(2-phenylethyl)piperidin-4-yl]oxolane-2-carboxamide
CID 120797812
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine-3-carboxamide;hydrochloride
CID 119699477

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride (CID 119844550) is N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(CCc2ccccc2)CC1)C1COCCN1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is HSDQTCZTVFLLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c22-18(17-14-23-13-9-19-17)20-16-7-11-21(12-8-16)10-6-15-4-2-1-3-5-15;;/h1-5,16-17,19H,6-14H2,(H,20,22);2*1H.
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride?
N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119844550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).