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

C16H30ClN3O2S — CID 119936798

IUPACN-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(C(=O)CC2CSCCN2)CC1.Cl
InChIInChI=1S/C16H29N3O2S.ClH/c1-2-3-6-18-16(21)13-4-8-19(9-5-13)15(20)11-14-12-22-10-7-17-14;/h13-14,17H,2-12H2,1H3,(H,18,21);1H
InChIKeyBMEIJEHUJXTINZ-UHFFFAOYSA-N
MW363.96 g/mol
LogP1.66
Rot. Bonds6

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

N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119936798) has the molecular formula C16H30ClN3O2S and a molecular weight of 363.96 g/mol. Its IUPAC name is N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119936798
Molecular FormulaC16H30ClN3O2S
Molecular Weight363.96 g/mol
Exact Mass363.17
IUPAC NameN-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCN(C(=O)CC2CSCCN2)CC1.Cl
InChIInChI=1S/C16H29N3O2S.ClH/c1-2-3-6-18-16(21)13-4-8-19(9-5-13)15(20)11-14-12-22-10-7-17-14;/h13-14,17H,2-12H2,1H3,(H,18,21);1H
InChIKeyBMEIJEHUJXTINZ-UHFFFAOYSA-N
XLogP1.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.96
LogP ≤ 51.66
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-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936671
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-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82897685
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride (CID 119936798) is N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride is CCCCNC(=O)C1CCN(C(=O)CC2CSCCN2)CC1.Cl.
What is the InChIKey of N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is BMEIJEHUJXTINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S.ClH/c1-2-3-6-18-16(21)13-4-8-19(9-5-13)15(20)11-14-12-22-10-7-17-14;/h13-14,17H,2-12H2,1H3,(H,18,21);1H.
What are the key properties of N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 363.96 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119936798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).