2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide

C16H21N5O2S — CID 100836744

IUPAC2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C16H21N5O2S/c1-10(15(23)19-16-12(14(17)22)5-8-24-16)21-7-2-3-11(9-21)13-4-6-18-20-13/h4-6,8,10-11H,2-3,7,9H2,1H3,(H2,17,22)(H,18,20)(H,19,23)/t10-,11-/m1/s1
InChIKeyHTWUSEPYBOHCLB-GHMZBOCLSA-N
MW347.44 g/mol
LogP1.78
Rot. Bonds5

About 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide (PubChem CID 100836744) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
PubChem CID100836744
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
SMILESC[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C16H21N5O2S/c1-10(15(23)19-16-12(14(17)22)5-8-24-16)21-7-2-3-11(9-21)13-4-6-18-20-13/h4-6,8,10-11H,2-3,7,9H2,1H3,(H2,17,22)(H,18,20)(H,19,23)/t10-,11-/m1/s1
InChIKeyHTWUSEPYBOHCLB-GHMZBOCLSA-N
XLogP1.78
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide with MolForge

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Related Compounds

(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 100836726
2-[[(2S)-2-piperidin-1-ylpropanoyl]amino]thiophene-3-carboxamide
CID 9249663
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760283
(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584667
N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584597
2-[[(2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 9430946
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760322
2-[[(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 40820681
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
CID 164584521
1-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25479932
2-[[(2R)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]amino]thiophene-3-carboxamide
CID 9459404
2-[[(2R)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 95609359

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide (CID 100836744) is 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide is C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is HTWUSEPYBOHCLB-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10(15(23)19-16-12(14(17)22)5-8-24-16)21-7-2-3-11(9-21)13-4-6-18-20-13/h4-6,8,10-11H,2-3,7,9H2,1H3,(H2,17,22)(H,18,20)(H,19,23)/t10-,11-/m1/s1.
What are the key properties of 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 100836744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).