N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide

C16H27N3O2S — CID 119936804

IUPACN-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)CC2CSCCN2)C1
InChIInChI=1S/C16H27N3O2S/c20-15(8-14-11-22-7-5-17-14)19-6-1-2-13(10-19)16(21)18-9-12-3-4-12/h12-14,17H,1-11H2,(H,18,21)
InChIKeyWMNKEYGOWPHDNB-UHFFFAOYSA-N
MW325.48 g/mol
LogP0.85
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide (PubChem CID 119936804) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide
PubChem CID119936804
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)CC2CSCCN2)C1
InChIInChI=1S/C16H27N3O2S/c20-15(8-14-11-22-7-5-17-14)19-6-1-2-13(10-19)16(21)18-9-12-3-4-12/h12-14,17H,1-11H2,(H,18,21)
InChIKeyWMNKEYGOWPHDNB-UHFFFAOYSA-N
XLogP0.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421814
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119939216
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66422097
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
N-(cyclopentylmethyl)-2-thiomorpholin-3-ylacetamide
CID 66421807
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide (CID 119936804) is N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(C(=O)CC2CSCCN2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide?
The InChIKey is WMNKEYGOWPHDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c20-15(8-14-11-22-7-5-17-14)19-6-1-2-13(10-19)16(21)18-9-12-3-4-12/h12-14,17H,1-11H2,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide has a molecular weight of 325.48 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 119936804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).