(2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile

C18H32N4O — CID 97082468

IUPAC(2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile
SMILESCC(C)CN1CC[C@@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1
InChIInChI=1S/C18H32N4O/c1-14(2)12-20-6-5-16(13-20)18(23)22-9-7-21(8-10-22)17(11-19)15(3)4/h14-17H,5-10,12-13H2,1-4H3/t16-,17+/m1/s1
InChIKeyUUQZQTDTRGQMDX-SJORKVTESA-N
MW320.48 g/mol
LogP1.66
Rot. Bonds5

About (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile

(2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile (PubChem CID 97082468) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile.

Molecular Properties

Compound Name(2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile
PubChem CID97082468
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name(2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile
SMILESCC(C)CN1CC[C@@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1
InChIInChI=1S/C18H32N4O/c1-14(2)12-20-6-5-16(13-20)18(23)22-9-7-21(8-10-22)17(11-19)15(3)4/h14-17H,5-10,12-13H2,1-4H3/t16-,17+/m1/s1
InChIKeyUUQZQTDTRGQMDX-SJORKVTESA-N
XLogP1.66
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile with MolForge

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Related Compounds

2-[4-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 75515586
[2-(aminomethyl)piperidin-1-yl]-[1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 126790046
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
(2R)-2-[4-[2-[4-(cyclopropylmethyl)piperazin-1-yl]acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 97123258
[1-(2-methylpropyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 883920
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanone
CID 97226647
3-[1-(2-methylpropyl)piperidin-4-yl]-3-oxopropanenitrile
CID 174621646
2-[4-[2-[3-(methoxymethyl)piperidin-1-yl]acetyl]piperazin-1-yl]-3-methylbutanenitrile
CID 75470809
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile?
The IUPAC name of (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile (CID 97082468) is (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile.
What is the SMILES notation for (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile?
The canonical SMILES for (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile is CC(C)CN1CC[C@@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1.
What is the InChIKey of (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile?
The InChIKey is UUQZQTDTRGQMDX-SJORKVTESA-N. The full InChI is InChI=1S/C18H32N4O/c1-14(2)12-20-6-5-16(13-20)18(23)22-9-7-21(8-10-22)17(11-19)15(3)4/h14-17H,5-10,12-13H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile?
(2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile has a molecular weight of 320.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[4-[(3R)-1-(2-methylpropyl)pyrrolidine-3-carbonyl]piperazin-1-yl]butanenitrile is sourced from PubChem (CID 97082468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).