N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide

C14H25N3O3S — CID 82897685

IUPACN-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)C2CSCCN2)CC1
InChIInChI=1S/C14H25N3O3S/c18-8-1-4-16-13(19)11-2-6-17(7-3-11)14(20)12-10-21-9-5-15-12/h11-12,15,18H,1-10H2,(H,16,19)
InChIKeyIYBPXSLRHGDECP-UHFFFAOYSA-N
MW315.44 g/mol
LogP-0.57
Rot. Bonds5

About N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide

N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 82897685) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
PubChem CID82897685
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCCCO)C1CCN(C(=O)C2CSCCN2)CC1
InChIInChI=1S/C14H25N3O3S/c18-8-1-4-16-13(19)11-2-6-17(7-3-11)14(20)12-10-21-9-5-15-12/h11-12,15,18H,1-10H2,(H,16,19)
InChIKeyIYBPXSLRHGDECP-UHFFFAOYSA-N
XLogP-0.57
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide
CID 82909327
N-propyl-1-(1,3-thiazolidine-4-carbonyl)piperidine-4-carboxamide
CID 119278298
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
N-butyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 61163792
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
3-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-3-oxopropanoic acid
CID 55049640
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
(E)-4-[4-(3-hydroxypropylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 60951820

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide (CID 82897685) is N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide is O=C(NCCCO)C1CCN(C(=O)C2CSCCN2)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is IYBPXSLRHGDECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c18-8-1-4-16-13(19)11-2-6-17(7-3-11)14(20)12-10-21-9-5-15-12/h11-12,15,18H,1-10H2,(H,16,19).
What are the key properties of N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(thiomorpholine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 82897685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).