N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C17H25N5OS — CID 124607017

IUPACN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCN(C)[C@@H](CNC(=O)N1CCC(c2ccn[nH]2)CC1)c1cccs1
InChIInChI=1S/C17H25N5OS/c1-21(2)15(16-4-3-11-24-16)12-18-17(23)22-9-6-13(7-10-22)14-5-8-19-20-14/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3,(H,18,23)(H,19,20)/t15-/m0/s1
InChIKeyYKMPHJORVHDISE-HNNXBMFYSA-N
MW347.49 g/mol
LogP2.66
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 124607017) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID124607017
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCN(C)[C@@H](CNC(=O)N1CCC(c2ccn[nH]2)CC1)c1cccs1
InChIInChI=1S/C17H25N5OS/c1-21(2)15(16-4-3-11-24-16)12-18-17(23)22-9-6-13(7-10-22)14-5-8-19-20-14/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3,(H,18,23)(H,19,20)/t15-/m0/s1
InChIKeyYKMPHJORVHDISE-HNNXBMFYSA-N
XLogP2.66
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97062251
N-(2-methoxy-3,3-dimethylbutyl)-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75442625
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
CID 94029999
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
CID 55770108
4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42905460
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124955122
3-(1H-pyrazol-5-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]piperidine-1-carboxamide
CID 138998629
N-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 75389205
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 125164754

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 124607017) is N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CN(C)[C@@H](CNC(=O)N1CCC(c2ccn[nH]2)CC1)c1cccs1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is YKMPHJORVHDISE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-21(2)15(16-4-3-11-24-16)12-18-17(23)22-9-6-13(7-10-22)14-5-8-19-20-14/h3-5,8,11,13,15H,6-7,9-10,12H2,1-2H3,(H,18,23)(H,19,20)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124607017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).