(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C17H31N5O3S — CID 51388846

IUPAC(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1
InChIInChI=1S/C17H31N5O3S/c1-5-21(6-2)11-9-18-17(23)15-8-7-10-22(13-15)26(24,25)16-12-19-20(4)14(16)3/h12,15H,5-11,13H2,1-4H3,(H,18,23)/t15-/m1/s1
InChIKeyOHHCBVHYCNYPFJ-OAHLLOKOSA-N
MW385.53 g/mol
LogP0.59
Rot. Bonds8

About (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 51388846) has the molecular formula C17H31N5O3S and a molecular weight of 385.53 g/mol. Its IUPAC name is (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID51388846
Molecular FormulaC17H31N5O3S
Molecular Weight385.53 g/mol
Exact Mass385.21
IUPAC Name(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1
InChIInChI=1S/C17H31N5O3S/c1-5-21(6-2)11-9-18-17(23)15-8-7-10-22(13-15)26(24,25)16-12-19-20(4)14(16)3/h12,15H,5-11,13H2,1-4H3,(H,18,23)/t15-/m1/s1
InChIKeyOHHCBVHYCNYPFJ-OAHLLOKOSA-N
XLogP0.59
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 51388637
(3R)-N-[2-(diethylamino)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 7441892
1-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 134025693
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55451540
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 17025141
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 124768210
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 17025161
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 40653181
[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51618591
N-(2-aminoethyl)-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-3-carboxamide
CID 104710243
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
(3R)-N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156195

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 51388846) is (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is CCN(CC)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2C)C1.
What is the InChIKey of (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is OHHCBVHYCNYPFJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H31N5O3S/c1-5-21(6-2)11-9-18-17(23)15-8-7-10-22(13-15)26(24,25)16-12-19-20(4)14(16)3/h12,15H,5-11,13H2,1-4H3,(H,18,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51388846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).