N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C23H30N3O3S+ — CID 9150146

IUPACN-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H29N3O3S/c27-22(19-8-10-26(11-9-19)23(28)21-7-4-16-30-21)24-20(18-5-2-1-3-6-18)17-25-12-14-29-15-13-25/h1-7,16,19-20H,8-15,17H2,(H,24,27)/p+1/t20-/m1/s1
InChIKeyUSWYXXFJQCTYPQ-HXUWFJFHSA-O
MW428.58 g/mol
LogP1.37
Rot. Bonds6

About N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 9150146) has the molecular formula C23H30N3O3S+ and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID9150146
Molecular FormulaC23H30N3O3S+
Molecular Weight428.58 g/mol
Exact Mass428.20
IUPAC NameN-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H29N3O3S/c27-22(19-8-10-26(11-9-19)23(28)21-7-4-16-30-21)24-20(18-5-2-1-3-6-18)17-25-12-14-29-15-13-25/h1-7,16,19-20H,8-15,17H2,(H,24,27)/p+1/t20-/m1/s1
InChIKeyUSWYXXFJQCTYPQ-HXUWFJFHSA-O
XLogP1.37
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9150147
N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351
dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium
CID 8938106
tert-butyl 4-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 9150003
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9148319
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 134061219
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[3-[(3aS)-5-(thiophene-2-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]oxolane-3-carboxamide
CID 90698648
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
N-(1,1-diphenylethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 56522986
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306894

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 9150146) is N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is USWYXXFJQCTYPQ-HXUWFJFHSA-O. The full InChI is InChI=1S/C23H29N3O3S/c27-22(19-8-10-26(11-9-19)23(28)21-7-4-16-30-21)24-20(18-5-2-1-3-6-18)17-25-12-14-29-15-13-25/h1-7,16,19-20H,8-15,17H2,(H,24,27)/p+1/t20-/m1/s1.
What are the key properties of N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 9150146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).