1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide

C22H37N3O2S — CID 19872398

IUPAC1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCN(CCCC(=O)N1CCC(C(=O)N(C)C)CC1)C(C)Cc1csc(C)c1
InChIInChI=1S/C22H37N3O2S/c1-6-24(17(2)14-19-15-18(3)28-16-19)11-7-8-21(26)25-12-9-20(10-13-25)22(27)23(4)5/h15-17,20H,6-14H2,1-5H3
InChIKeySJOXHXYNKXKJMY-UHFFFAOYSA-N
MW407.62 g/mol
LogP3.42
Rot. Bonds9

About 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 19872398) has the molecular formula C22H37N3O2S and a molecular weight of 407.62 g/mol. Its IUPAC name is 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID19872398
Molecular FormulaC22H37N3O2S
Molecular Weight407.62 g/mol
Exact Mass407.26
IUPAC Name1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCN(CCCC(=O)N1CCC(C(=O)N(C)C)CC1)C(C)Cc1csc(C)c1
InChIInChI=1S/C22H37N3O2S/c1-6-24(17(2)14-19-15-18(3)28-16-19)11-7-8-21(26)25-12-9-20(10-13-25)22(27)23(4)5/h15-17,20H,6-14H2,1-5H3
InChIKeySJOXHXYNKXKJMY-UHFFFAOYSA-N
XLogP3.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.62
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxamide
CID 2838079
1-(4-Benzylpiperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 669874
Cambridge id 6578772
CID 2187048
Cambridge id 6579821
CID 30137476
N-cyclopentyl-N'-[2-(3-methyl-2-thienyl)ethyl]succinamide
CID 46983124
1-isopropyl-N-(2-methoxyethyl)-N-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide
CID 50976231
3-(1-methylpiperidin-2-yl)-N-[2-(3-methyl-2-thienyl)ethyl]propanamide
CID 50976292
1-[(2S,3aR,7aS)-1-acetyl-2-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97460092
5-({1-[(3-Methyl-2-thienyl)methyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201718
1-(2-Thienylacetyl)-4-piperidinecarboxamide
CID 762561
Cambridge id 6578501
CID 2903437
1-(3-Methylpiperidyl)-2-(2-thienyl)ethan-1-one
CID 3133602

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 19872398) is 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide is CCN(CCCC(=O)N1CCC(C(=O)N(C)C)CC1)C(C)Cc1csc(C)c1.
What is the InChIKey of 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is SJOXHXYNKXKJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2S/c1-6-24(17(2)14-19-15-18(3)28-16-19)11-7-8-21(26)25-12-9-20(10-13-25)22(27)23(4)5/h15-17,20H,6-14H2,1-5H3.
What are the key properties of 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 407.62 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl-[1-(5-methylthiophen-3-yl)propan-2-yl]amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 19872398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).