4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride

C17H24ClN3O3 — CID 120919820

IUPAC4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2cccc(N3CCCC3=O)c2)CCOCC1
InChIInChI=1S/C17H23N3O3.ClH/c18-12-17(6-9-23-10-7-17)16(22)19-13-3-1-4-14(11-13)20-8-2-5-15(20)21;/h1,3-4,11H,2,5-10,12,18H2,(H,19,22);1H
InChIKeyPUTVGHOHYGPMCQ-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.93
Rot. Bonds4

About 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120919820) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride
PubChem CID120919820
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2cccc(N3CCCC3=O)c2)CCOCC1
InChIInChI=1S/C17H23N3O3.ClH/c18-12-17(6-9-23-10-7-17)16(22)19-13-3-1-4-14(11-13)20-8-2-5-15(20)21;/h1,3-4,11H,2,5-10,12,18H2,(H,19,22);1H
InChIKeyPUTVGHOHYGPMCQ-UHFFFAOYSA-N
XLogP1.93
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(3-pyrrolidin-1-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939637
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290019
4-(aminomethyl)-N-[3-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922415
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821
(2S,5R)-5-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120784633
4-(aminomethyl)-N-[3-(methoxymethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120924113
4-(aminomethyl)-N-[3-(trifluoromethoxy)phenyl]oxane-4-carboxamide
CID 120921235
4-(aminomethyl)-N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]oxane-4-carboxamide
CID 120929329
N-[(4-morpholin-4-ylthian-4-yl)methyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 139028076
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]oxane-4-carboxamide
CID 120941565

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride (CID 120919820) is 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2cccc(N3CCCC3=O)c2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is PUTVGHOHYGPMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c18-12-17(6-9-23-10-7-17)16(22)19-13-3-1-4-14(11-13)20-8-2-5-15(20)21;/h1,3-4,11H,2,5-10,12,18H2,(H,19,22);1H.
What are the key properties of 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120919820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).