1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride

C15H28ClN3O3 — CID 120791067

IUPAC1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)C1CCCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-2-7-17-14(19)11-4-3-8-18(10-11)15(20)13-6-5-12(9-16)21-13;/h11-13H,2-10,16H2,1H3,(H,17,19);1H/t11?,12-,13+;/m1./s1
InChIKeyFYMSYZVCDPOSKV-VHBLZNKNSA-N
MW333.86 g/mol
LogP0.68
Rot. Bonds5

About 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride

1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride (PubChem CID 120791067) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride
PubChem CID120791067
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Name1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride
SMILESCCCNC(=O)C1CCCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-2-7-17-14(19)11-4-3-8-18(10-11)15(20)13-6-5-12(9-16)21-13;/h11-13H,2-10,16H2,1H3,(H,17,19);1H/t11?,12-,13+;/m1./s1
InChIKeyFYMSYZVCDPOSKV-VHBLZNKNSA-N
XLogP0.68
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
(3S)-1-[5-(aminomethyl)oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 81126219
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
1-(3-aminocyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119763367
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120798482
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102957664
(2S,5R)-5-(aminomethyl)-N-[3-(azepan-1-yl)-3-oxopropyl]oxolane-2-carboxamide
CID 120790948
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 120792916
1-(2-hydroxycyclopentanecarbonyl)-N-propylpiperidine-3-carboxamide
CID 110014381
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride (CID 120791067) is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride is CCCNC(=O)C1CCCN(C(=O)[C@@H]2CC[C@H](CN)O2)C1.Cl.
What is the InChIKey of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is FYMSYZVCDPOSKV-VHBLZNKNSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c1-2-7-17-14(19)11-4-3-8-18(10-11)15(20)13-6-5-12(9-16)21-13;/h11-13H,2-10,16H2,1H3,(H,17,19);1H/t11?,12-,13+;/m1./s1.
What are the key properties of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride?
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-propylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120791067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).