N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride

C17H32ClN3O2S — CID 119936671

IUPACN-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCCNC(=O)C1CCN(C(=O)CC2CSCCN2)CC1.Cl
InChIInChI=1S/C17H31N3O2S.ClH/c1-2-3-4-7-19-17(22)14-5-9-20(10-6-14)16(21)12-15-13-23-11-8-18-15;/h14-15,18H,2-13H2,1H3,(H,19,22);1H
InChIKeyXHMWDMGVDUJSID-UHFFFAOYSA-N
MW377.98 g/mol
LogP2.05
Rot. Bonds7

About N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride

N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119936671) has the molecular formula C17H32ClN3O2S and a molecular weight of 377.98 g/mol. Its IUPAC name is N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119936671
Molecular FormulaC17H32ClN3O2S
Molecular Weight377.98 g/mol
Exact Mass377.19
IUPAC NameN-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCCNC(=O)C1CCN(C(=O)CC2CSCCN2)CC1.Cl
InChIInChI=1S/C17H31N3O2S.ClH/c1-2-3-4-7-19-17(22)14-5-9-20(10-6-14)16(21)12-15-13-23-11-8-18-15;/h14-15,18H,2-13H2,1H3,(H,19,22);1H
InChIKeyXHMWDMGVDUJSID-UHFFFAOYSA-N
XLogP2.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.98
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936798
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119720622
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
N-ethyl-2-[4-(2-thiomorpholin-3-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119941053
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82897685

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride (CID 119936671) is N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride is CCCCCNC(=O)C1CCN(C(=O)CC2CSCCN2)CC1.Cl.
What is the InChIKey of N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is XHMWDMGVDUJSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S.ClH/c1-2-3-4-7-19-17(22)14-5-9-20(10-6-14)16(21)12-15-13-23-11-8-18-15;/h14-15,18H,2-13H2,1H3,(H,19,22);1H.
What are the key properties of N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 377.98 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119936671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).