2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride

C15H31Cl2N3O2 — CID 154907305

IUPAC2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCCCCCC1)NC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C15H29N3O2.2ClH/c19-14-11-16-7-6-13(14)10-17-15(20)12-18-8-4-2-1-3-5-9-18;;/h13-14,16,19H,1-12H2,(H,17,20);2*1H/t13-,14+;;/m0../s1
InChIKeyHDILHXQATLKCNA-WICJZZOFSA-N
MW356.34 g/mol
LogP1.18
Rot. Bonds4

About 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride

2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride (PubChem CID 154907305) has the molecular formula C15H31Cl2N3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride
PubChem CID154907305
Molecular FormulaC15H31Cl2N3O2
Molecular Weight356.34 g/mol
Exact Mass355.18
IUPAC Name2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCCCCCC1)NC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C15H29N3O2.2ClH/c19-14-11-16-7-6-13(14)10-17-15(20)12-18-8-4-2-1-3-5-9-18;;/h13-14,16,19H,1-12H2,(H,17,20);2*1H/t13-,14+;;/m0../s1
InChIKeyHDILHXQATLKCNA-WICJZZOFSA-N
XLogP1.18
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-4-oxobutanamide
CID 56882826
2-(azocan-1-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 122562256
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 154915036
4-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525940
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 120947386
N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]pyrrolidine-3-carboxamide
CID 119848878
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119460598
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
N-(azetidin-3-yl)-2-piperidin-1-ylacetamide;ethane;propane
CID 164918631

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride (CID 154907305) is 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCCCCCC1)NC[C@@H]1CCNC[C@H]1O.
What is the InChIKey of 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride?
The InChIKey is HDILHXQATLKCNA-WICJZZOFSA-N. The full InChI is InChI=1S/C15H29N3O2.2ClH/c19-14-11-16-7-6-13(14)10-17-15(20)12-18-8-4-2-1-3-5-9-18;;/h13-14,16,19H,1-12H2,(H,17,20);2*1H/t13-,14+;;/m0../s1.
What are the key properties of 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride?
2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 154907305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).