N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide

C20H30N4O2S — CID 119481514

IUPACN-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)C(c2ccccc2)N2CCSCC2)C1
InChIInChI=1S/C20H30N4O2S/c21-8-9-22-19(25)17-7-4-10-24(15-17)20(26)18(16-5-2-1-3-6-16)23-11-13-27-14-12-23/h1-3,5-6,17-18H,4,7-15,21H2,(H,22,25)
InChIKeyDQPMPBTYLHZUFT-UHFFFAOYSA-N
MW390.55 g/mol
LogP1.09
Rot. Bonds6

About N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide (PubChem CID 119481514) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide
PubChem CID119481514
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC NameN-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)C(c2ccccc2)N2CCSCC2)C1
InChIInChI=1S/C20H30N4O2S/c21-8-9-22-19(25)17-7-4-10-24(15-17)20(26)18(16-5-2-1-3-6-16)23-11-13-27-14-12-23/h1-3,5-6,17-18H,4,7-15,21H2,(H,22,25)
InChIKeyDQPMPBTYLHZUFT-UHFFFAOYSA-N
XLogP1.09
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[2-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715
N-(2-aminoethyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119384567
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
1-[(3R)-3-aminopyrrolidin-1-yl]-2-phenyl-2-thiomorpholin-4-ylethanone;dihydrochloride
CID 119412296
N-(2-aminoethyl)-1-[2-(3-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 119479891
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
N-(2-aminoethyl)-1-(3,4-dihydro-1H-isothiochromene-1-carbonyl)piperidine-3-carboxamide
CID 119481987
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
N-(2-aminoethyl)-1-[3-(2-fluorophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 119480930
N-(2-aminoethyl)-1-(2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 119482163

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide (CID 119481514) is N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)C(c2ccccc2)N2CCSCC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide?
The InChIKey is DQPMPBTYLHZUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c21-8-9-22-19(25)17-7-4-10-24(15-17)20(26)18(16-5-2-1-3-6-16)23-11-13-27-14-12-23/h1-3,5-6,17-18H,4,7-15,21H2,(H,22,25).
What are the key properties of N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-phenyl-2-thiomorpholin-4-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 119481514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).