(3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide

C23H31N5O2 — CID 51955896

IUPAC(3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)C1
InChIInChI=1S/C23H31N5O2/c1-3-26(4-2)23(30)27-15-9-10-17(16-27)22(29)24-21-19-13-8-14-20(19)25-28(21)18-11-6-5-7-12-18/h5-7,11-12,17H,3-4,8-10,13-16H2,1-2H3,(H,24,29)/t17-/m0/s1
InChIKeyMQPGHHJFHVPTEA-KRWDZBQOSA-N
MW409.53 g/mol
LogP3.47
Rot. Bonds5

About (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide

(3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide (PubChem CID 51955896) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide
PubChem CID51955896
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name(3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)C1
InChIInChI=1S/C23H31N5O2/c1-3-26(4-2)23(30)27-15-9-10-17(16-27)22(29)24-21-19-13-8-14-20(19)25-28(21)18-11-6-5-7-12-18/h5-7,11-12,17H,3-4,8-10,13-16H2,1-2H3,(H,24,29)/t17-/m0/s1
InChIKeyMQPGHHJFHVPTEA-KRWDZBQOSA-N
XLogP3.47
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 47045244
1-[(4R)-6-methyloctan-4-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
CID 167207543
(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide
CID 51956267
(3R)-1-N,1-N-diethyl-3-N-[(2R)-2-phenylpropyl]piperidine-1,3-dicarboxamide
CID 51941120
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 55476481
(3R)-1-N,1-N-diethyl-3-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956169
2-[methyl(methylsulfonyl)amino]-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 51078002
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
N-(2-aminoethyl)-1-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 119480197
N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide
CID 121030371
2-(2-ethylphenoxy)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)acetamide
CID 55412161

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide (CID 51955896) is (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide is CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)C1.
What is the InChIKey of (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide?
The InChIKey is MQPGHHJFHVPTEA-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-3-26(4-2)23(30)27-15-9-10-17(16-27)22(29)24-21-19-13-8-14-20(19)25-28(21)18-11-6-5-7-12-18/h5-7,11-12,17H,3-4,8-10,13-16H2,1-2H3,(H,24,29)/t17-/m0/s1.
What are the key properties of (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide?
(3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N,1-N-diethyl-3-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51955896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).