(2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide

C16H23N3O3S — CID 95621426

IUPAC(2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)18-14(21)11-6-4-5-7-19(11)15(22)12-8-10(9-23-12)13(17)20/h8-9,11H,4-7H2,1-3H3,(H2,17,20)(H,18,21)/t11-/m0/s1
InChIKeyRAUVCCRRNIXVDN-NSHDSACASA-N
MW337.45 g/mol
LogP1.76
Rot. Bonds3

About (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide

(2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 95621426) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID95621426
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name(2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)18-14(21)11-6-4-5-7-19(11)15(22)12-8-10(9-23-12)13(17)20/h8-9,11H,4-7H2,1-3H3,(H2,17,20)(H,18,21)/t11-/m0/s1
InChIKeyRAUVCCRRNIXVDN-NSHDSACASA-N
XLogP1.76
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 167804825
5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
CID 120579115
(2S)-N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide
CID 95620265
N-tert-butyl-1-(6-ethylsulfanylpyridine-3-carbonyl)piperidine-2-carboxamide
CID 56786574
tert-butyl 2-(tert-butylcarbamoyl)piperidine-1-carboxylate
CID 100994535
5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 97041948
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 136578762
ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
CID 79461401
5-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]thiophene-3-carboxamide
CID 124590095
5-(4-benzyl-2-methyl-1,4-diazepane-1-carbonyl)thiophene-3-carboxamide
CID 136527442
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683
1-(5-bromothiophene-3-carbonyl)azepane-2-carboxylic acid
CID 64560879

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide (CID 95621426) is (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide is CC(C)(C)NC(=O)[C@@H]1CCCCN1C(=O)c1cc(C(N)=O)cs1.
What is the InChIKey of (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is RAUVCCRRNIXVDN-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-16(2,3)18-14(21)11-6-4-5-7-19(11)15(22)12-8-10(9-23-12)13(17)20/h8-9,11H,4-7H2,1-3H3,(H2,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide?
(2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-1-(4-carbamoylthiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 95621426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).