N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride

C16H24Cl2FN3O2 — CID 119862600

IUPACN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(c2ccc(F)cc2)C1)C1COCCN1
InChIInChI=1S/C16H22FN3O2.2ClH/c17-13-1-3-14(4-2-13)20-7-5-12(10-20)9-19-16(21)15-11-22-8-6-18-15;;/h1-4,12,15,18H,5-11H2,(H,19,21);2*1H
InChIKeyKDPXCMPYGVYTGD-UHFFFAOYSA-N
MW380.29 g/mol
LogP1.60
Rot. Bonds4

About N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride

N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119862600) has the molecular formula C16H24Cl2FN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119862600
Molecular FormulaC16H24Cl2FN3O2
Molecular Weight380.29 g/mol
Exact Mass379.12
IUPAC NameN-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CCN(c2ccc(F)cc2)C1)C1COCCN1
InChIInChI=1S/C16H22FN3O2.2ClH/c17-13-1-3-14(4-2-13)20-7-5-12(10-20)9-19-16(21)15-11-22-8-6-18-15;;/h1-4,12,15,18H,5-11H2,(H,19,21);2*1H
InChIKeyKDPXCMPYGVYTGD-UHFFFAOYSA-N
XLogP1.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125009047
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119862653
N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860652
N-(cyclooctylmethyl)morpholine-3-carboxamide;hydrochloride
CID 119741853
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119898858
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862617
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119862615
3,3,3-trifluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 122132458
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 60583589
(2R,6S)-N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95161107
N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]morpholine-3-carboxamide
CID 119865355

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride (CID 119862600) is N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CCN(c2ccc(F)cc2)C1)C1COCCN1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is KDPXCMPYGVYTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2.2ClH/c17-13-1-3-14(4-2-13)20-7-5-12(10-20)9-19-16(21)15-11-22-8-6-18-15;;/h1-4,12,15,18H,5-11H2,(H,19,21);2*1H.
What are the key properties of N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride?
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 380.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119862600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).