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

C15H28ClN3O2S — CID 119936002

IUPACN-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCNC(=O)C1CCN(C(=O)CC2CSCCN2)CC1.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-2-5-17-15(20)12-3-7-18(8-4-12)14(19)10-13-11-21-9-6-16-13;/h12-13,16H,2-11H2,1H3,(H,17,20);1H
InChIKeyUPTHHTMVXSBUDZ-UHFFFAOYSA-N
MW349.93 g/mol
LogP1.27
Rot. Bonds5

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

N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119936002) has the molecular formula C15H28ClN3O2S and a molecular weight of 349.93 g/mol. Its IUPAC name is N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119936002
Molecular FormulaC15H28ClN3O2S
Molecular Weight349.93 g/mol
Exact Mass349.16
IUPAC NameN-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCNC(=O)C1CCN(C(=O)CC2CSCCN2)CC1.Cl
InChIInChI=1S/C15H27N3O2S.ClH/c1-2-5-17-15(20)12-3-7-18(8-4-12)14(19)10-13-11-21-9-6-16-13;/h12-13,16H,2-11H2,1H3,(H,17,20);1H
InChIKeyUPTHHTMVXSBUDZ-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936798
N-pentyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936671
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
N-pentyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119720622
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
1-[3-(diethylamino)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941033

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride (CID 119936002) is N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride is CCCNC(=O)C1CCN(C(=O)CC2CSCCN2)CC1.Cl.
What is the InChIKey of N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is UPTHHTMVXSBUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S.ClH/c1-2-5-17-15(20)12-3-7-18(8-4-12)14(19)10-13-11-21-9-6-16-13;/h12-13,16H,2-11H2,1H3,(H,17,20);1H.
What are the key properties of N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride?
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 349.93 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119936002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).