N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide

C18H29N5O2 — CID 46228464

IUPACN-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2c(NC(=O)C3CCNCC3)n[nH]c2C1(C)C
InChIInChI=1S/C18H29N5O2/c1-17(2,3)16(25)23-10-12-13(18(23,4)5)21-22-14(12)20-15(24)11-6-8-19-9-7-11/h11,19H,6-10H2,1-5H3,(H2,20,21,22,24)
InChIKeyZCQQEWOROAMZJH-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.97
Rot. Bonds2

About N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide

N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide (PubChem CID 46228464) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide
PubChem CID46228464
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2c(NC(=O)C3CCNCC3)n[nH]c2C1(C)C
InChIInChI=1S/C18H29N5O2/c1-17(2,3)16(25)23-10-12-13(18(23,4)5)21-22-14(12)20-15(24)11-6-8-19-9-7-11/h11,19H,6-10H2,1-5H3,(H2,20,21,22,24)
InChIKeyZCQQEWOROAMZJH-UHFFFAOYSA-N
XLogP1.97
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide (CID 46228464) is N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide is CC(C)(C)C(=O)N1Cc2c(NC(=O)C3CCNCC3)n[nH]c2C1(C)C.
What is the InChIKey of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide?
The InChIKey is ZCQQEWOROAMZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-17(2,3)16(25)23-10-12-13(18(23,4)5)21-22-14(12)20-15(24)11-6-8-19-9-7-11/h11,19H,6-10H2,1-5H3,(H2,20,21,22,24).
What are the key properties of N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide?
N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropanoyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46228464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).