4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride

C17H30ClN3O3 — CID 120937591

IUPAC4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CC(=O)N(C3CCCCC3)C2)CCOCC1
InChIInChI=1S/C17H29N3O3.ClH/c18-12-17(6-8-23-9-7-17)16(22)19-13-10-15(21)20(11-13)14-4-2-1-3-5-14;/h13-14H,1-12,18H2,(H,19,22);1H
InChIKeyJGXQAOVULAJWFN-UHFFFAOYSA-N
MW359.90 g/mol
LogP1.21
Rot. Bonds4

About 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride (PubChem CID 120937591) has the molecular formula C17H30ClN3O3 and a molecular weight of 359.90 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride
PubChem CID120937591
Molecular FormulaC17H30ClN3O3
Molecular Weight359.90 g/mol
Exact Mass359.20
IUPAC Name4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NC2CC(=O)N(C3CCCCC3)C2)CCOCC1
InChIInChI=1S/C17H29N3O3.ClH/c18-12-17(6-8-23-9-7-17)16(22)19-13-10-15(21)20(11-13)14-4-2-1-3-5-14;/h13-14H,1-12,18H2,(H,19,22);1H
InChIKeyJGXQAOVULAJWFN-UHFFFAOYSA-N
XLogP1.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
CID 120941198
4-(aminomethyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120936806
4-(aminomethyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)oxane-4-carboxamide
CID 120930377
1-(aminomethyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119758192
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120935393
3-amino-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)propanamide;hydrochloride
CID 119327016
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
CID 120929053
4-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]oxane-4-carboxamide;dihydrochloride
CID 120939451
1-(4-chlorophenyl)sulfonyl-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 139008656
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride (CID 120937591) is 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NC2CC(=O)N(C3CCCCC3)C2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride?
The InChIKey is JGXQAOVULAJWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3.ClH/c18-12-17(6-8-23-9-7-17)16(22)19-13-10-15(21)20(11-13)14-4-2-1-3-5-14;/h13-14H,1-12,18H2,(H,19,22);1H.
What are the key properties of 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclohexyl-5-oxopyrrolidin-3-yl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120937591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).