(2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride

C17H32Cl2N4O3 — CID 120800655

IUPAC(2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)O1
InChIInChI=1S/C17H30N4O3.2ClH/c18-12-14-4-5-15(24-14)16(22)19-6-7-20-8-10-21(11-9-20)17(23)13-2-1-3-13;;/h13-15H,1-12,18H2,(H,19,22);2*1H/t14-,15+;;/m1../s1
InChIKeyJATMJNCRXCINKJ-AMTWEWDESA-N
MW411.37 g/mol
LogP0.40
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120800655) has the molecular formula C17H32Cl2N4O3 and a molecular weight of 411.37 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120800655
Molecular FormulaC17H32Cl2N4O3
Molecular Weight411.37 g/mol
Exact Mass410.19
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)O1
InChIInChI=1S/C17H30N4O3.2ClH/c18-12-14-4-5-15(24-14)16(22)19-6-7-20-8-10-21(11-9-20)17(23)13-2-1-3-13;;/h13-15H,1-12,18H2,(H,19,22);2*1H/t14-,15+;;/m1../s1
InChIKeyJATMJNCRXCINKJ-AMTWEWDESA-N
XLogP0.40
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801194
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
(2S,5R)-5-(aminomethyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798205
(2S,5R)-5-(aminomethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]oxolane-2-carboxamide
CID 120790948
(2S,5R)-5-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801708
[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride
CID 120791067
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120797158
3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride
CID 119887626
(2S,5R)-5-(aminomethyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798949
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120797366
(2S,5R)-5-(aminomethyl)-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798713

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride (CID 120800655) is (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is JATMJNCRXCINKJ-AMTWEWDESA-N. The full InChI is InChI=1S/C17H30N4O3.2ClH/c18-12-14-4-5-15(24-14)16(22)19-6-7-20-8-10-21(11-9-20)17(23)13-2-1-3-13;;/h13-15H,1-12,18H2,(H,19,22);2*1H/t14-,15+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 411.37 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120800655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).